Carbamothioic acid, methyl(5-phenylpentyl)-, S-propyl ester
Basic information
- CAS
93359-42-3- Standard SMILES
CCCSC(=O)N(C)CCCCCc1ccccc1- InChIKey
MEPGNDAHJOPJFB-UHFFFAOYSA-N- Molecular formula
- C16H25NOS
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.16568559
Names & identifiers
- Preferred name
- Carbamothioic acid, methyl(5-phenylpentyl)-, S-propyl ester
- IUPAC
- S-propyl N-methyl-N-(5-phenylpentyl)carbamothioate
Names & synonyms
93359-42-3Carbamothioic acid, methyl(5-phenylpentyl)-, S-propyl esterDTXSID00918494s-propyl methyl(5-phenylpentyl)carbamothioate
Database identifiers
- CAS
93359-42-3- PubChem CID
- 185252
- DTXSID
DTXSID00918494
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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