Basic information
- CAS
58705-49-0- Standard SMILES
COC(=O)Sc1nc2ccccc2nc1SC(=O)OC- InChIKey
GSGMRLJVCKMZIU-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.00819915
Names & identifiers
- Preferred name
- Carbonic acid, dithiodi-, O,O'-dimethyl S,S'-(2,3-quinoxalinediyl) ester
- IUPAC
- methyl (3-methoxycarbonylsulfanylquinoxalin-2-yl)sulfanylformate
Names & synonyms
2,3-Bis(carbomethoxymercapto)quinoxalineSAS 218558705-49-0BRN 0895817AI3-25722O,O'-Dimethyl S,S'-2,3-quinoxalinediyl thiocarbonateCARBONIC ACID, DITHIODI-, O,O'-DIMETHYL S,S'-(2,3-QUINOXALINEDIYL) ESTERDTXSID50207406Carbonic acid, thio-, O,O'-dimethyl S,S'-2,3-quinoxalinediyl ester5-23-13-00256 (Beilstein Handbook Reference)Carbonic acid, thio-, O-methyl ester, S,S-diester with 2,3-quinoxalinedithiolCarbonothioic acid, S,s'-2,3-quinoxalinediyl O,O'-dimethyl ester
Show more names
RefChem:333388DTXCID10129897Carbonothioic acid, S,S'-2,3-quinoxalinediyl O,O'-dimethyl ester (9CI)O,O'-Dimethyl S,S'-quinoxaline-2,3-diyl biscarbonothioate
Database identifiers
- CAS
58705-49-0- PubChem CID
- 42812
- DTXSID
DTXSID50207406- Nikkaji
- J68.708A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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