175277-31-3 (2-(叔丁磺酰)硫代乙酰胺,2-(tert-Butylsulfonyl)ethanethioamide)

快速询单

结构式：

2-(叔丁磺酰)硫代乙酰胺MOL文件

CAS号：

175277-31-3

中文名称：

2-(叔丁磺酰)硫代乙酰胺

英文名称：

2-(tert-Butylsulfonyl)ethanethioamide

分子式：

C₆H₁₃NO₂S₂

分子量：

195.302919149399

2-(叔丁磺酰)硫代乙酰胺(175277-31-3)名称与标识符

名称

中文别名：

2-(叔丁磺酰)硫代乙酰胺;2-(叔丁基磺酰基)乙烷硫胺;3,3,3-三氟-DL-丙氨酸;2-(叔丁磺酰)硫代乙酰胺,97%;

英文别名：

2-(tert-Butylsulfonyl)ethanethioamide;2-(tert-Butylsulfonyl)thioacetamide;2-(TERT-BUTYLSULPHONYL)ETHANETHIOAMIDE;2-tert-butylsulfonylethanethioamide;HMS566K17;2-TERT-BUTYLSULFONYLTHIOACETAMIDE;2-(T-BUTYLSULFONYL)ETHANETHIOAMIDE;DTXSID10372563;SR-01000641326-1;2-(tert-Butylsulfonyl)thioacetamide, AldrichCPR;Maybridge1_008861;SCHEMBL1642297;CS-0328508;Ethanethioamide,2-[(1,1-dimethylethyl)sulfonyl]-;AKOS005203386;MFCD00084920;(2-Methylpropane-2-sulfonyl)ethanethioamide;FT-0608926;175277-31-3;2-(2-methylpropane-2-sulfonyl)ethanethioamide;A881600;Ethanethioamide, 2-[(1,1-dimethylethyl)sulfonyl]-;CCG-52071;tert-butylsulfonyl-thioacetamide;2-[(1,1-dimethylethyl)sulfonyl]-ethanethioamide;MNLXPMODUGFBAA-UHFFFAOYSA-N;AS-68289;

标识符

MDL：

MFCD00084920

InChIKey：

MNLXPMODUGFBAA-UHFFFAOYSA-N

Inchi：

1S/C6H13NO2S2/c1-6(2,3)11(8,9)4-5(7)10/h4H2,1-3H3,(H2,7,10)

SMILES：

S(CC(N)=S)(C(C)(C)C)(=O)=O

2-(叔丁磺酰)硫代乙酰胺(175277-31-3)物化性质

实验特性

LogP : 2.26690
PSA : 100.63000
折射率 : 1.54
沸点 : 364.5°Cat760mmHg
熔点 : 184 °C
闪点 : 174.2°C
颜色与性状 : 奶油色的晶体状粉末
溶解性 : 未确定
密度 : 1.241

计算特性

精确分子量 : 195.03900
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 195.03877100g/mol
重原子数量 : 11
复杂度 : 243
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.1
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 101Å²

2-(叔丁磺酰)硫代乙酰胺(175277-31-3)安全信息

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2-(叔丁磺酰)硫代乙酰胺(175277-31-3) MSDS

基础信息

Name:	2-(tert-Butylsulfonyl)ethanethioamide 97% Material Safety Data Sheet
Synonym:
CAS:	175277-31-3

Section 1 - Chemical Product ? MSDS Name:2-(tert-Butylsulfonyl)ethanethioamide 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175277-31-3	2-(tert-Butylsulfonyl)ethanethioamide	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175277-31-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 184 - 186 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H13NO2S2
Molecular Weight: 195

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175277-31-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(tert-Butylsulfonyl)ethanethioamide - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 175277-31-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175277-31-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175277-31-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A