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107759-90-0 ((z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮,2(1H)-Pyrimidinethione,3,4-dihydro-4-imino-, (Z)- (9CI))

结构式：

(z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮结构式图片|107759-90-0结构式图片

(z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮MOL文件

CAS号：

107759-90-0

中文名称：

(z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮

英文名称：

2(1H)-Pyrimidinethione,3,4-dihydro-4-imino-, (Z)- (9CI)

分子式：

C₄H₅N₃S

分子量：

127.167598485947

(z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮(107759-90-0)名称与标识符

名称

中文别名：

(z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮;4-氨基-2-巯基嘧啶;

英文别名：

2(1H)-Pyrimidinethione,3,4-dihydro-4-imino-, (Z)- (9CI);2(1H)-Pyrimidinethione, 3,4-dihydro-4-imino-, (Z)- (9CI);2-Pyrimidinethiol, 4-amino- (9CI);139424-19-4;2(1H)-Pyrimidinethione, 6-amino-;4-Amino-2(1H)-pyrimidinethione #;GEO-00152;4-aminopyrimidine-2(1H)-thione;6-Aminopyrimidine-2(1H)-thione;NSC-211571;333-49-3;NSC211571;NSC 211571;NSC 45755;NSC45755;DTXSID0059823;Z314598904;MFCD00006075;Cytosine, 2-thio-;4-amino-1H-pyrimidine-2-thione;2-Pyrimidinethiol, 1,4-dihydro-4-imino- (9CI);107759-90-0;2-Thiocytosine, 97%;D73961;Cytosine, thio-;2(1H)-Pyrimidinethione, 3,4-dihydro-4-imino- (9CI);2-Pyrimidinethiol, 1,6-dihydro-6-imino- (9CI);139424-18-3;POTASSIUM2-METHYL-2-BUTOXIDE;NS00029464;J-019158;AKOS001448300;FT-0617466;2-Pyrimidinethiol,1,4-dihydro-4-imino-(9ci);2(1H)-Pyrimidinone, 4-aminothio-;140907-24-0;MS-20308;4-Amino-2-mercaptopyrimidine;AKOS006223224;Q20892009;6-amino-1H-pyrimidine-2-thione;139424-17-2;2(1H)-Pyrimidinethione,3,4-dihydro-4-imino-,(Z)-(9ci);AI3-52256;2-Thiocytosine;6-azanyl-1H-pyrimidine-2-thione;EINECS 206-374-3;6-Amino-2(1H)-pyrimidinethione;2(1H)-Pyrimidinethione, 4-amino-;AKOS024015281;CS-0078723;4-Aminopyrimidine-2-thiol;Thiocytosine;NSC-45755;A821739;4-Amino-2(1H)-pyrimidinethione;SCHEMBL20718;MFCD00057341;

标识符

InChIKey：

DCPSTSVLRXOYGS-UHFFFAOYSA-N

Inchi：

1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

SMILES：

S=C1N=CC=C(N)N1

(z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮(107759-90-0)物化性质

实验特性

PSA : 51.8
折射率 : 1.749
沸点 : 232.1°Cat760mmHg
闪点 : 94.1°C
密度 : 1.53

计算特性

精确分子量 : 127.02055
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 127.02
重原子数量 : 8
复杂度 : 170
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） : _1.1
拓扑分子极性表面积 : 82.5A^2

(z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮(107759-90-0)相关文献

1. 515. The preparation and reactions of 4-amino-2-(carboxy-methylthio)pyrimidines
G. H. Hitchings,P. B. Russell J. Chem. Soc. 1949 2454
2. Spontaneous in situ generation of photoemissive aurophilic oligomers in water solution based on the 2-thiocytosine ligand
Daniel Blasco,María Rodríguez-Castillo,M. Elena Olmos,Miguel Monge,José M. López-de-Luzuriaga RSC Adv. 2022 12 8466
3. Radical fluoroalkylation reactions of (hetero)arenes and sulfides under red light photocatalysis
Damian E. Yerien,M. Victoria Cooke,M. Cecilia García Vior,Sebastián Barata-Vallejo,Al Postigo Org. Biomol. Chem. 2019 17 3741
4. 612. Pyrimidine reactions. Part IV. The methylation of 2,4- and 4,5-diaminopyrimidine and related compounds
D. J. Brown,N. W. Jacobsen J. Chem. Soc. 1962 3172
5. Controlled growth and molecular self-assembly of Au nanoparticles to Au nanochains: application towards enhancement for the electrochemical determination of paracetamol
Manoj Devaraj,Ranjith Kumar Deivasigamani,Santhanalakshmi Jayadevan Anal. Methods 2013 5 3503
6. The detailed electrochemical character of brucine at a poly(aspartic acid)-modified electrode and its sensitive determination
Jie Liu,Lingxi Yang,Kai Zhang,Kunjing Li,Xianli Wu,Baoxian Ye Anal. Methods 2013 5 2712
7. 2-Aminopyrrolo[1,2-a]- and 3-aminopyrrolo[1,2-c]-pyrimidines
David G. Doughty,Edward E. Glover,Kenneth D. Vaughan J. Chem. Soc. Perkin Trans. 1 1976 1991
8. An efficient hybrid adsorbent based on silica-supported amino penta-carboxylic acid for water purification
Smaail Radi,Chahrazad El Abiad,André P. Carvalho,Sérgio M. Santos,M. Amparo F. Faustino,M. Gra?a P. M. S. Neves,Nuno M. M. Moura J. Mater. Chem. A 2018 6 13096
9. A simple strategy for preparation of sensor arrays: molecularly structured monolayers as recognition elements
Thomas Hirsch,Hubert Kettenberger,Otto S. Wolfbeis,Vladimir M. Mirsky Chem. Commun. 2003 432
10. Differential receptor arrays and assays for solution-based molecular recognition
Aaron T. Wright,Eric V. Anslyn Chem. Soc. Rev. 2006 35 14

目录

相关化合物

1004-39-3(4,6-二氨基-2-巯基嘧啶) 2183-66-6(2-甲巯基-4-氨基嘧啶) 139424-17-2((9ci)-4-氨基-2-嘧啶硫醇) 333-49-3(4-氨基-2-巯基嘧啶) 810668-53-2(Methyl (4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-trihydroxy-4,8, 10,12,14,19-docosahexaenoate) 81115-49-3(6-羧酸-5-氨基-1H-吲唑) 80880-90-6(替仑西平) 812640-83-8((1-(PYRIDIN-2-YL)CYCLOPROPYL)METHANAMINE)

相关产品

(z)-(9ci)-3,4-二氢-4-亚氨基-2(1H)-嘧啶硫酮

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