4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole

• ChemBase编号: 156650
• 分子式: C8H8N2S4
• 平均质量: 260.42252
• 单一同位素质量: 259.95703227
• SMILES: Cc1csc(n1)SSc1nc(cs1)C
• Canonical SMILES: Cc1csc(n1)SSc1scc(n1)C
• InChI: InChI=1S/C8H8N2S4/c1-5-3-11-7(9-5)13-14-8-10-6(2)4-12-8/h3-4H,1-2H3
• InChIKey: PYPYUFUIUSJRSS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole
• IUPAC传统名: 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole
• 别名: Bis(4-methylthiazol-2-yl) disulfide; 2,2′-Dithiobis(4-methylthiazole)

登记号

• CAS号: 23826-98-4
• MDL号: MFCD00043398
• Beilstein号: 210381
• PubChem SID: 162250787
• PubChem CID: 4067549

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.52255
• LogD (pH = 7.4): 3.5225706
• Log P: 3.5225708
• 摩尔折射率: 61.0066 cm^3
• 极化性: 25.222662 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (CHN)
• Empirical Formula (Hill Notation): C8H8N2S4

详细说明

Sigma Aldrich - 43755

Other Notes
Thiol specific reagent for SH-measurement below neutral pH.; The use of a 5-membered heterocyclic disulfide permits the spectrophotometric det. of all SH-groups of malate dehydrogenase and lactate dehydrogenase without requiring their prior denaturation1