Propanamide, N,N'-1,2-ethanediylbis[3-mercapto-
Basic information
- CAS
818-41-7- Standard SMILES
O=C(CCS)NCCNC(=O)CCS- InChIKey
BSICYDQQORWGMR-UHFFFAOYSA-N- Molecular formula
- C8H16N2O2S2
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.0653201
Names & identifiers
- Preferred name
- Propanamide, N,N'-1,2-ethanediylbis[3-mercapto-
- IUPAC
- 3-sulfanyl-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
Names & synonyms
818-41-7Propanamide, N,N'-1,2-ethanediylbis[3-mercapto-N,N'-Ethylenebis(3-mercaptopropionamide)DTXSID10335057N,N'-(Ethane-1,2-diyl)bis(3-sulfanylpropanamide)
Database identifiers
- CAS
818-41-7- PubChem CID
- 522761
- DTXSID
DTXSID10335057- Nikkaji
- J1.930.581C
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
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Compound notes
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