Basic information
- CAS
17823-69-7- Standard SMILES
CSC(SC)=C(C#N)C(N)=O- InChIKey
ASRISBXJSAYCHP-UHFFFAOYSA-N- Molecular formula
- C6H8N2OS2
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 188.00780523
Names & identifiers
- Preferred name
- 2-Cyano-3,3-bis(methylthio)acrylamide
- IUPAC
- 2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide
- English name
- 3,3-Bis(methylthio)-2-cyanopropenamide
- Molecular formula
- C6H8N2OS2
- Molecular weight
- 188.27
Names & synonyms
2-cyano-3,3-bis(methylthio)acrylamide17823-69-7DTXSID50372688RefChem:259611DTXCID403237202-cyano-3,3-bis(methylsulfanyl)prop-2-enamide2-Propenamide, 2-cyano-3,3-bis(methylthio)-MFCD002055873,3-bis(methylthio)-2-cyanoacrylamide2-CYANO-3,3-BIS-METHYLSULFANYL-ACRYLAMIDESCHEMBL1416929ASRISBXJSAYCHP-UHFFFAOYSA-N
Show more names
DM83-Bis(methylthio)-2-cyanopropenamide3,3-Bis(methylthio)-2-cyanopropenamide2-cyano-3,3-bis(methylthio)-2-Propenamide
bis(methythio)methylenecyanoacetamide2-Cyano-33-bis(methylthio)acrylamideAKOS004903164BP-20705SY1130322-Cyano-3,3-bi(methylthio)-2-propenamide2-Cyano-3,3-bis(methylsulphanyl)acrylamideDB-338297
Database identifiers
- CAS
17823-69-7- PubChem CID
- 2747746
- DTXSID
DTXSID50372688- Nikkaji
- J314.839D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 101 · 101-102 °C
- Boiling point
- 349.7 · 349.7±42.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 11.74 · 11.74±0.50(Predicted)
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety data
- hs_code
- 2930909899
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers22 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海君悦生物科技有限公司021-51370612 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
86 records
Compound notes
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