Basic information
- CAS
208665-98-9- Standard SMILES
CC(C)COc1ccc(C(N)=S)cc1Cl- InChIKey
FYHIHJSNGVALJQ-UHFFFAOYSA-N- Molecular formula
- C11H14ClNOS
- Average molar mass
- 243.75 g/mol
- Monoisotopic mass
- 243.0484629
Names & identifiers
- Preferred name
- 3-Chloro-4-(2-methylpropoxy)benzenecarbothioamide
- IUPAC
- 3-chloro-4-(2-methylpropoxy)benzenecarbothioamide
Names & synonyms
DTXSID501233538AKOS0106483013-chloro-4-(2-methylpropoxy)benzenecarbothioamide3-Chloro-4-(2-methylpropoxy)benzene-1-carbothioamide208665-98-9
Database identifiers
- CAS
208665-98-9- PubChem CID
- 61389155
- DTXSID
DTXSID501233538
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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