Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide
Basic information
- CAS
170806-10-7- Standard SMILES
CSc1c(C)n([O-])c2cc(Cl)c(Cl)cc2[n+]1=O- InChIKey
DQTFWWOZEVXLON-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2N2O2S
- Average molar mass
- 291.15 g/mol
- Monoisotopic mass
- 289.9683541
Names & identifiers
- Preferred name
- Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide
- IUPAC
- 6,7-dichloro-3-methyl-2-methylsulfanyl-4-oxidoquinoxalin-1-ium 1-oxide
Names & synonyms
170806-10-7Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide3Q5F2SC8ZQNSC686361UNII-3Q5F2SC8ZQNSC 686361NSC-6863616,7-Dichloro-2-methyl-3-(methylsulfanyl)quinoxaline-1,4-diium-1,4-bis(olate)CHEMBL1972683DTXSID70168949NCI60_0310906,7-dichloro-2-methyl-3-methylsulfanyl-1,4-dioxido-quinoxaline-1,4-diium
Show more names
6,7-Dichloro-3-methyl-2-(methylsulfanyl)-1-oxoquinoxalin-1-ium-4(1H)-olate
Database identifiers
- CAS
170806-10-7- PubChem CID
- 389765
- DTXSID
DTXSID70168949- ChEMBL
CHEMBL1972683- UNII
- 3Q5F2SC8ZQ
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 377
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Compound notes
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