Basic information
- CAS
887573-31-1- Standard SMILES
CC(C)OC(=O)CNC(=S)SCc1ccccc1- InChIKey
SYRDTEHXOBLFSB-UHFFFAOYSA-N- Molecular formula
- C13H17NO2S2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.07007113
Names & identifiers
- Preferred name
- Isopropyl {[(benzylsulfanyl)carbothioyl]amino}acetate
- IUPAC
- propan-2-yl 2-(benzylsulfanylcarbothioylamino)acetate
- English name
- isopropyl {[(benzylsulfanyl)carbothioyl]amino}acetate
- Molecular formula
- C13H17NO2S2
- Molecular weight
- 283.40958
Names & synonyms
isopropyl {[(benzylsulfanyl)carbothioyl]amino}acetatepropan-2-yl 2-(benzylsulfanylcarbothioylamino)acetateSCHEMBL1520399AN-068/25067018
Database identifiers
- CAS
887573-31-1- PubChem CID
- 1714174
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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