Carbamic acid, pentylthio-, S-phenyl ester
Basic information
- CAS
18312-38-4- Standard SMILES
CCCCCNC(=O)Sc1ccccc1- InChIKey
SKDVDMGVQIHVGC-UHFFFAOYSA-N- Molecular formula
- C12H17NOS
- Average molar mass
- 223.34 g/mol
- Monoisotopic mass
- 223.10308534
Names & identifiers
- Preferred name
- Carbamic acid, pentylthio-, S-phenyl ester
- IUPAC
- S-phenyl N-pentylcarbamothioate
- English name
- N-Pentylcarbamothioic acid S-phenyl ester
- Molecular weight
- 0
Names & synonyms
Pentylthiocarbamic acid S-phenyl ester18312-38-4BRN 2524033CARBAMIC ACID, PENTYLTHIO-, S-PHENYL ESTERDTXSID60171386RefChem:332719DTXCID2093877S-phenyl N-pentylcarbamothioateN-Pentylcarbamothioic acid S-phenyl esterS-Phenyl pentylthiocarbamateS-Phenyl pentylcarbamothioate
Database identifiers
- CAS
18312-38-4- PubChem CID
- 29027
- DTXSID
DTXSID60171386- Nikkaji
- J42.811F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
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Related reactions
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Compound notes
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