Basic information
- CAS
1093758-93-0- Standard SMILES
CCc1ccc(SCC#N)c(Cl)c1- InChIKey
YFLBHZXMIKOPPK-UHFFFAOYSA-N- Molecular formula
- C10H10ClNS
- Average molar mass
- 211.71 g/mol
- Monoisotopic mass
- 211.0222482
Names & identifiers
- Preferred name
- 2-((2-Chloro-4-ethylphenyl)thio)acetonitrile
- IUPAC
- 2-(2-chloro-4-ethylphenyl)sulfanylacetonitrile
- English name
- 4-Ethylcyano-2-Chlorothioanisole
- Molecular formula
- C10H10ClNS
- Molecular weight
- 211.71
Names & synonyms
2-((2-Chloro-4-ethylphenyl)thio)acetonitrile1093758-93-02-(2-chloro-4-ethylphenyl)sulfanylacetonitrile4-Ethylcyano-2-chlorothioanisoleDTXSID506475802-(2-chloro-4-ethylphenylthio)acetonitrileDB-329032[(2-Chloro-4-ethylphenyl)sulfanyl]acetonitrileAcetonitrile, 2-[(2-chloro-4-ethylphenyl)thio]-
Database identifiers
- CAS
1093758-93-0- PubChem CID
- 24820751
- DTXSID
DTXSID50647580
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 312.41 · 312.410±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.214 · 1.214±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers5 total
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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