5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
Basic information
- CAS
92680-93-8- Standard SMILES
CC(C)CCCC(=O)Nc1c2sscc-2n(C)c1=O- InChIKey
KGJPNIILIDNCCD-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2S2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.08097017
Names & identifiers
- Preferred name
- 5-Methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide
- IUPAC
- 5-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)hexanamide
- English name
- N-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-5-methylhexanamide
- Molecular weight
- 0
Names & synonyms
5-methyl-n-(4-methyl-5-oxodithiolo(3,4-d)pyrrol-6-yl)hexanamide92680-93-8xenorhabdin VDTXSID402390995-Methyl-N-(4-methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamideN-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-5-methylhexanamide
Database identifiers
- CAS
92680-93-8- PubChem CID
- 185192
- DTXSID
DTXSID40239099- Nikkaji
- J168.877D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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