4-氨基-2-(甲基硫代)嘧啶-5-腈

4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile

HCID 295757CAS 770-30-9

子结构检索查找相似结构

基本信息

标准SMILES: CSc1ncc(C#N)c(N)n1
InChIKey: VYDHBDPZNLVELI-UHFFFAOYSA-N
分子式: C6H6N4S
平均分子量: 166.21 g/mol
单同位素质量: 166.03131719

名称与标识

首选名称: 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile
IUPAC: 4-amino-2-methylsulfanylpyrimidine-5-carbonitrile
中文名: 4-氨基-2-(甲基硫代)嘧啶-5-腈
英文名: 4-Amino-2-(methylthio)pyrimidine-5-carbonitrile
分子式: C6H6N4S
分子量: 166.2

名称与别名

770-30-94-amino-2-(methylsulfanyl)pyrimidine-5-carbonitrileDTXSID70304305RefChem:1070232DTXCID00255437665-023-64-Amino-2-(Methylthio)Pyrimidine-5-CarbonitrileMFCD000232374-amino-2-methylsulfanylpyrimidine-5-carbonitrile4-amino-2-methylsulfanyl-pyrimidine-5-carbonitrile4-Amino-2-methylthio-5-pyrimidinecarbonitrileEN300-250330

展开更多名称

2-甲硫基-4-氨基嘧啶-5-甲醛2-甲硫基-4-氨基-5-嘧啶甲醛4-胺基-2-(甲硫基)嘧啶-5-腈4-氨基-2-(甲基硫代)嘧啶-5-腈4-氨基-2-(甲硫基)嘧啶-5-甲腈4-氨基-2-(甲基硫代)嘧啶-5-腈,97%AKOS B022140AKOS UB-20020AKOS BBS-00005292BUTTPARK 27\08-64ART-CHEM-BB B022140TIMTEC-BB SBB0038892-METHYLTHIO 4-AMINO 5-CYANO PYRIMIDINE5-Pyrimidinecarbonitrile, 4-amino-2-(methylthio)-

4-amino-2-methylthiopyrimidine-5-carbonitrile4-Amino-5-cyano-2-(methylthio)pyrimidineNSC165363Maybridge1_004789SCHEMBL212306SCHEMBL6248337HMS555B15BDBM626120

数据库标识

CAS: 770-30-9
PubChem CID: 295757
DTXSID: DTXSID70304305
EC Number: 665-023-6
Nikkaji: J2.397.849K

性质

结构计算性质

XLogP: 1
极性表面积: 101 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 175

物理化学性质

熔点: 240 · 240-242 °C
沸点: 400 · 400.0±27.0 °C(Predicted)
密度: 1.39 · 1.39±0.1 g/cm3(Predicted)
储存条件: Keep in dark place,Inert atmosphere,Room temperature
酸度系数(pKa): 1.23 · 1.23±0.10(Predicted)
形态: Powder
颜色: Slightly yellow to cream
水溶解性: Soluble in water.
CAS 数据库: 770 · 770-30-9(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.