Basic information
- Standard SMILES
CC(C)(C)SC(=S)SCCC(=O)O- InChIKey
KBYXOHPSTSFPHJ-UHFFFAOYSA-N- Molecular formula
- C8H14O2S3
- Average molar mass
- 238.4 g/mol
Names & identifiers
- Preferred name
- 3-{[(tert-butylsulfanyl)carbonothioyl]sulfanyl}propanoic Acid
- IUPAC
- 3-tert-butylsulfanylcarbothioylsulfanylpropanoic acid
Names & synonyms
SCHEMBL3083750KBYXOHPSTSFPHJ-UHFFFAOYSA-N3-{[(tert-butylsulfanyl)carbonothioyl]sulfanyl}propanoic Acid
Database identifiers
- PubChem CID
- 59347145
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Related reactions
1 records
Compound notes
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