Completing data — usually done within a minute
Basic information
- CAS
1192347-90-2- Standard SMILES
CC(C)Sc1ccc(Cl)cc1C#N- InChIKey
XOCKCPIXLOLTHD-UHFFFAOYSA-N- Molecular formula
- C10H10ClNS
- Average molar mass
- 211.71 g/mol
- Monoisotopic mass
- 211.0222482
Names & identifiers
- Preferred name
- 5-Chloro-2-[(1-methylethyl)sulfanyl]benzonitrile
- IUPAC
- 5-chloro-2-propan-2-ylsulfanylbenzonitrile
Names & synonyms
SCHEMBL1017712XOCKCPIXLOLTHD-UHFFFAOYSA-NDTXSID701257019AKOS0117832145-Chloro-2-[(1-methylethyl)thio]benzonitrile5-Chloro-2-[(propan-2-yl)sulfanyl]benzonitrile5-chloro-2-[(1-methylethyl)sulfanyl]benzonitrile1192347-90-2
Database identifiers
- CAS
1192347-90-2- PubChem CID
- 62493909
- DTXSID
DTXSID701257019
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Related reactions
8 records
Compound notes
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