s-Ethyl(furan-2-ylmethyl)carbamothioate
Basic information
- CAS
6961-66-6- Standard SMILES
CCSC(=O)NCc1ccco1- InChIKey
UATAQWQZXYDULM-UHFFFAOYSA-N- Molecular formula
- C8H11NO2S
- Average molar mass
- 185.25 g/mol
- Monoisotopic mass
- 185.05104977
Names & identifiers
- Preferred name
- s-Ethyl(furan-2-ylmethyl)carbamothioate
- IUPAC
- S-ethyl N-(furan-2-ylmethyl)carbamothioate
Names & synonyms
6961-66-6s-ethyl(furan-2-ylmethyl)carbamothioateNSC62741NCIOpen2_000282DTXSID70289683NSC-62741S-Ethyl [(furan-2-yl)methyl]carbamothioate
Database identifiers
- CAS
6961-66-6- PubChem CID
- 247685
- DTXSID
DTXSID70289683
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
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Related reactions
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Compound notes
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