Basic information
- Standard SMILES
COC(=O)CCCSC(=S)NCC1CCCO1- InChIKey
SSUCKUOXOALRMV-UHFFFAOYSA-N- Molecular formula
- C11H19NO3S2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.08063582
Names & identifiers
- Preferred name
- 4-(Tetrahydrofuran-2-ylmethylthiocarbamoylsulfanyl)-butyric acid methyl ester
- IUPAC
- methyl 4-(oxolan-2-ylmethylcarbamothioylsulfanyl)butanoate
Names & synonyms
SCHEMBL6902835SSUCKUOXOALRMV-UHFFFAOYSA-N4-(tetrahydrofuran-2-ylmethylthio-carbamoylsulfanyl)-butyric acid methyl ester4-(tetrahydrofuran-2-ylmethylthiocarbamoylsulfanyl)-butyric acid methyl ester
Database identifiers
- PubChem CID
- 9903733
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
1 records
Compound notes
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