s-Methyl(3-methoxypropyl)carbamothioate
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Basic information
- CAS
6944-45-2- Standard SMILES
COCCCNC(=O)SC- InChIKey
PNOKIOLCRMCSLZ-UHFFFAOYSA-N- Molecular formula
- C6H13NO2S
- Average molar mass
- 163.24 g/mol
- Monoisotopic mass
- 163.06669983
Names & identifiers
- Preferred name
- s-Methyl(3-methoxypropyl)carbamothioate
- IUPAC
- S-methyl N-(3-methoxypropyl)carbamothioate
Names & synonyms
6944-45-2s-methyl(3-methoxypropyl)carbamothioateNSC58737DTXSID40289059NSC-58737S-Methyl (3-methoxypropyl)carbamothioate
Database identifiers
- CAS
6944-45-2- PubChem CID
- 246148
- DTXSID
DTXSID40289059
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97
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Compound notes
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