Basic information
- CAS
280565-65-3- Standard SMILES
Cc1sccc1C(=S)Nc1ccc(Cl)c(OCC(C)(C)C)c1- InChIKey
VMOHENJEUMJNLD-UHFFFAOYSA-N- Molecular formula
- C17H20ClNOS2
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.0674843
Names & identifiers
- Preferred name
- 3-Thiophenecarbothioamide, N-(4-chloro-3-(2,2-dimethylpropoxy)phenyl)-2-methyl-
- IUPAC
- N-[4-chloro-3-(2,2-dimethylpropoxy)phenyl]-2-methylthiophene-3-carbothioamide
Names & synonyms
280565-65-33-Thiophenecarbothioamide, N-(4-chloro-3-(2,2-dimethylpropoxy)phenyl)-2-methyl-3-Thiophenecarbothioamide, N-[4-chloro-3-(2,2-dimethylpropoxy)phenyl]-2-methyl-DTXSID40182334N-[4-chloro-3-(2,2-dimethylpropoxy)phenyl]-2-methylthiophene-3-carbothioamideN-[4-chloro-3-(2,2-dimethylpropoxy)phenyl]-2-methyl-thiophene-3-carbothioamide2-Methyl-thiophene-3-carbothioic acid [4-chloro-3-(2,2-dimethyl-propoxy)-phenyl]-amide, Thiophenecarbothioanilide deriv.
Database identifiers
- CAS
280565-65-3- PubChem CID
- 3000896
- DTXSID
DTXSID40182334
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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