102-12-5 (1-苯基-3-(2-羟乙基)硫脲,3-(2-hydroxyethyl)-1-phenylthiourea)

快速询单

结构式：

1-苯基-3-(2-羟乙基)硫脲MOL文件

CAS号：

102-12-5

中文名称：

1-苯基-3-(2-羟乙基)硫脲

英文名称：

3-(2-hydroxyethyl)-1-phenylthiourea

分子式：

C₉H₁₂N₂OS

分子量：

196.269380569458

1-苯基-3-(2-羟乙基)硫脲(102-12-5)名称与标识符

名称

中文别名：

1-苯基-3-(2-羟乙基)硫脲;

英文别名：

Thiourea,N-(2-hydroxyethyl)-N'-phenyl-;1-(2-hydroxyethyl)-3-phenylthiourea;1-Phenyl-3-(2-hydroxyethyl)thiourea;1-(2-hydroxyethyl)-3-phenyl-2-thiourea;1-(2-hydroxy-ethyl)-3-phenyl-thiourea;AC1LU8CO;Ambcb5156479;ChemDiv3_000588;F0081-0015;N-(2-Hydroxy-aethyl)-N'-phenyl-thioharnstoff;N-(2-Hydroxyethyl)-N'-phenylthiourea;N-2-hydroxyethyl-N'-phenylthiourea;NSC90821;Urea, 1-(2-hydroxyethyl)-3-phenyl-2-thio-;3-(2-hydroxyethyl)-1-phenylthiourea;VS-07282;SR-01000398314-1;NSC-90821;CBDivE_004082;Thiourea, N-(2-hydroxyethyl)-N'-phenyl-;SCHEMBL5138189;CBDivE_003669;N-(2-Hydroxyethyl)-N'-phenylthiourea #;HMS1649C15;CHEMBL5191880;NSC 90821;D97208;2-Hydroxyethyl phenyl thiourea;BRD-K81117311-001-01-1;NCGC00172713-01;MFCD00022123;AKOS003241062;HMS1474K16;SDCCGMLS-0064663.P001;102-12-5;AKOS002710497;DTXSID60144510;CCG-2276;SR-01000398314;MFCXZZJQPDIXAS-UHFFFAOYSA-N;WLN: SUYMR & M2Q;CS-0315324;N-Phenyl-N'-.beta.-hydroxyethylthiourea;1-(2-hydroxyethyl)-3-phenyl-thiourea;STL477522;STL283910;ALBB-035611;DB-238302;BBL022933;N-(2-hydroxyethyl)-N'-phenylcarbamimidothioic acid;

标识符

MDL：

MFCD00022123

InChIKey：

MFCXZZJQPDIXAS-UHFFFAOYSA-N

Inchi：

1S/C9H12N2OS/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11,13)

SMILES：

S=C(NC1C=CC=CC=1)NCCO

1-苯基-3-(2-羟乙基)硫脲(102-12-5)物化性质

实验特性

LogP : 1.42920
PSA : 44.29
折射率 : 1.674
沸点 : 332°C at 760 mmHg
闪点 : 154.6°C
密度 : 1.281

计算特性

精确分子量 : 196.06716
氢键供体数量 : 3
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 196.067
重原子数量 : 13
复杂度 : 158
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） : 无
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 76.4Å²

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