2-(3,5-Dimethylthiophen-2-yl)acetonitrile
Basic information
- CAS
6286-39-1- Standard SMILES
Cc1cc(C)c(CC#N)s1- InChIKey
PSFRTUWUXSRDOB-UHFFFAOYSA-N- Molecular formula
- C8H9NS
- Average molar mass
- 151.23 g/mol
- Monoisotopic mass
- 151.04557046
Names & identifiers
- Preferred name
- 2-(3,5-Dimethylthiophen-2-yl)acetonitrile
- IUPAC
- 2-(3,5-dimethylthiophen-2-yl)acetonitrile
Names & synonyms
6286-39-12-(3,5-dimethylthiophen-2-yl)acetonitrile(3,5-dimethylthiophen-2-yl)acetonitrileNSC10060SCHEMBL7961974DTXSID20278784NSC-10060AKOS019729583
Database identifiers
- CAS
6286-39-1- PubChem CID
- 222956
- DTXSID
DTXSID20278784
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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