基本信息
- 标准SMILES
Cc1ccc(SCCN=C(N)CSS(=O)(=O)O)cc1- InChIKey
CZGYJVKTYKYBAG-UHFFFAOYSA-N- 分子式
- C11H16N2O3S3
- 平均分子量
- 320.5 g/mol
- 单同位素质量
- 320.03230537
名称与标识
- 首选名称
- Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate
- IUPAC
- 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-methylbenzene
- 英文名
- Thiosulfuric acid hydrogen S-[2-imino-2-[[2-[(4-methylphenyl)thio]ethyl]amino]ethyl] ester
- 分子式
- C11H16N2O3S3
- 分子量
- 320.45
名称与别名
Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfateNSC 18748640284-00-2DTXSID90193293Thiosulfuric acid S-[N-[2-p-tolylsulfanyl-ethyl]carbamimidoylmethyl]esterThiosulfuric acid, S-[2-[2-(4-methylphenylthio)ethylamino]-2-iminoethyl] esterThiosulfuric acid S-(N-(2-p-tolylsulfanyl-ethyl)carbamimidoylmethyl)esterThiosulfuric acid, S-(2-(2-(4-methylphenylthio)ethylamino)-2-iminoethyl) esterRefChem:352446DTXCID00115784CZGYJVKTYKYBAG-UHFFFAOYSA-NS-((N-(2-(p-Tolylthio)ethyl)amidino)methyl) hydrogen thiosulfate
展开更多名称
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-methylbenzeneThiosulfuric acid hydrogen S-[2-imino-2-[[2-[(4-methylphenyl)thio]ethyl]amino]ethyl] ester
Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-((4-methylphenyl)thio)ethyl)amino)ethyl) esterThiosulfuric acid (H2S2O3), S-[2-imino-2-[[2-[(4-methylphenyl)thio]ethyl]amino]ethyl] esterNSC187486NSC-187486S-[(2Z)-2-Amino-2-({2-[(4-methylphenyl)sulfanyl]ethyl}imino)ethyl] hydrogen sulfurothioateS-[2-Imino-2-((2-[(4-methylphenyl)sulfanyl]ethyl)amino)ethyl] hydrogen thiosulfate #
数据库标识
- CAS
40284-00-2- PubChem CID
- 99138
- DTXSID
DTXSID90193293- Nikkaji
- J41.732G
性质
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 152 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 7
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 384
物理化学性质
- 密度
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 酸度系数(pKa)
- -4.69 · -4.69±0.30(Predicted)
相关反应
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