dimethyl({[(methylsulfanyl)[2-(thiophen-2-ylmethylidene)hydrazin-1-ylidene]methyl]imino}methyl)amine

• ChemBase编号: 78915
• 分子式: C10H14N4S2
• 平均质量: 254.37496
• 单一同位素质量: 254.06598847
• SMILES: N(=C\N(C)C)/C(=N\N=C\c1cccs1)/SC
• Canonical SMILES: CS/C(=N/N=C/c1cccs1)/N=C/N(C)C
• InChI: InChI=1S/C10H14N4S2/c1-14(2)8-11-10(15-3)13-12-7-9-5-4-6-16-9/h4-8H,1-3H3
• InChIKey: QEZFOERBFFMZGZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({[(methylsulfanyl)[2-(thiophen-2-ylmethylidene)hydrazin-1-ylidene]methyl]imino}methyl)amine
• IUPAC传统名: dimethyl({[(methylsulfanyl)[2-(thiophen-2-ylmethylidene)hydrazin-1-ylidene]methyl]imino}methyl)amine
• 别名: methyl N-(2-thienylmethylidene)-{[(dimethylamino)methylidene]amino}methanehydrazonothioate

登记号

• MDL号: MFCD00116937
• PubChem SID: 162043678
• PubChem CID: 9582097

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.73499125
• LogD (pH = 7.4): 2.0152237
• Log P: 2.1745439
• 摩尔折射率: 71.7552 cm^3
• 极化性: 26.456423 Å^3
• 极化表面积: 40.32 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true