Basic information
- CAS
929004-82-0- Standard SMILES
O=C(CSCCCS)c1ccc[nH]1- InChIKey
DEONRGNWXVJRHG-UHFFFAOYSA-N- Molecular formula
- C9H13NOS2
- Average molar mass
- 215.3 g/mol
- Monoisotopic mass
- 215.04385639
Names & identifiers
- Preferred name
- 1-(1H-Pyrrol-2-yl)-2-[(3-sulfanylpropyl)sulfanyl]ethan-1-one
- IUPAC
- 1-(1H-pyrrol-2-yl)-2-(3-sulfanylpropylsulfanyl)ethanone
Names & synonyms
929004-82-02-((3-Mercaptopropyl)thio)-1-(1H-pyrrol-2-yl)ethanoneDTXSID008537151-(1H-Pyrrol-2-yl)-2-[(3-sulfanylpropyl)sulfanyl]ethan-1-one
Database identifiers
- CAS
929004-82-0- PubChem CID
- 71445142
- DTXSID
DTXSID00853715
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…