Basic information
- CAS
39252-35-2- Standard SMILES
CCN(CC)C(=S)SCc1cc(C)c(O)c(C)c1- InChIKey
IMKGIRJLQSRRSL-UHFFFAOYSA-N- Molecular formula
- C14H21NOS2
- Average molar mass
- 283.5 g/mol
- Monoisotopic mass
- 283.10645664
Names & identifiers
- Preferred name
- (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate
- IUPAC
- (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate
Names & synonyms
39252-35-2NSC286188(4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioateSCHEMBL9972722DTXSID90314582NSC-286188(4-Hydroxy-3,5-dimethylphenyl)methyl diethylcarbamodithioate
Database identifiers
- CAS
39252-35-2- PubChem CID
- 323697
- DTXSID
DTXSID90314582
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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