Basic information
- CAS
178870-34-3- Standard SMILES
Cc1occc1C(=S)Nc1ccc(Cl)c(OCCC(C)C)c1- InChIKey
RACYHELXUARKEK-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2S
- Average molar mass
- 337.9 g/mol
- Monoisotopic mass
- 337.0903277
Names & identifiers
- Preferred name
- 3-Furancarbothioamide, N-(4-chloro-3-(3-methylbutoxy)phenyl)-2-methyl-
- IUPAC
- N-[4-chloro-3-(3-methylbutoxy)phenyl]-2-methylfuran-3-carbothioamide
Names & synonyms
178870-34-33-Furancarbothioamide, N-(4-chloro-3-(3-methylbutoxy)phenyl)-2-methyl-2-Methyl-furan-3-carbothioic acid (4-chloro-3-(3-methyl-butoxy)-phenyl)-amide3-Furancarbothioamide, N-[4-chloro-3-(3-methylbutoxy)phenyl]-2-methyl-2-Methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-butoxy)-phenyl]-amideCHEMBL102788DTXSID70170582N-[4-chloro-3-(3-methylbutoxy)phenyl]-2-methylfuran-3-carbothioamideN-(4-chloro-3-isopentyloxy-phenyl)-2-methyl-furan-3-carbothioamide
Database identifiers
- CAS
178870-34-3- PubChem CID
- 3000899
- DTXSID
DTXSID70170582- ChEMBL
CHEMBL102788
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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