Basic information
- CAS
61021-51-0- Standard SMILES
N#CCSc1c[nH]c2ccccc12- InChIKey
NYJACYLXVJMNOM-UHFFFAOYSA-N- Molecular formula
- C10H8N2S
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.04081944
Names & identifiers
- Preferred name
- Acetonitrile, (1H-indol-3-ylthio)-
- IUPAC
- 2-(1H-indol-3-ylsulfanyl)acetonitrile
- English name
- (INDOL-3-YLTHIO)ACETONITRILE
- Molecular formula
- C10H8N2S
- Molecular weight
- 188.25
Names & synonyms
61021-51-0Acetonitrile, (1H-indol-3-ylthio)-DTXSID30404895RefChem:316833DTXCID00355749(Indol-3-ylthio)acetonitrile2-((1H-indol-3-yl)thio)acetonitrile2-(1H-indol-3-ylsulfanyl)acetonitrileSCHEMBL11705001AKOS006273660[(1H-Indol-3-yl)sulfanyl]acetonitrileDB-257930
Show more names
2-(1H-Indol-3-ylthio)acetonitrileAcetonitrile, 2-(1H-indol-3-ylthio)-
Database identifiers
- CAS
61021-51-0- PubChem CID
- 4613630
- DTXSID
DTXSID30404895
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 52 · 52-54.5°C
- form
- Crystals
- color
- White Waxy
- CAS DataBase Reference
- 61021 · 61021-51-0
Chemistry & industry
Applications
Uses(Indol-3-ylthio)acetonitrile (cas# 61021-51-0) is a compound useful in organic synthesis.
Suppliers7 total
武汉易泰科技有限公司上海分公司18930552037 · [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]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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