1,3,4-Thiadiazolo(3,2-a)pyrimidin-4-ium, 5,7-dimethyl-2-thioxo-, inner salt
Basic information
- CAS
87253-83-6- Standard SMILES
Cc1cc(C)[n+]2nc([S-])sc2n1- InChIKey
JQJIIAGVULRAON-UHFFFAOYSA-N- Molecular formula
- C7H7N3S2
- Average molar mass
- 197.3 g/mol
- Monoisotopic mass
- 197.00813958
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazolo(3,2-a)pyrimidin-4-ium, 5,7-dimethyl-2-thioxo-, inner salt
- IUPAC
- 5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
- English name
- 3,4-thiadiazolo(3,2-a)pyrimidin-4-ium,2,3-dihydro-5,7-dimethyl-2-thioxo-hy
- Molecular formula
- C7H7N3S2
- Molecular weight
- 197.28058
Names & synonyms
87253-83-61,3,4-Thiadiazolo(3,2-a)pyrimidin-4-ium, 2,3-dihydro-5,7-dimethyl-2-thioxo-, hydroxide, inner saltDTXSID30236239RefChem:1052530DTXCID801587301,3,4-Thiadiazolo(3,2-a)pyrimidin-4-ium, 5,7-dimethyl-2-thioxo-, inner salt5,7-dimethyl[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolateCL-415786{5,7-dimethyl-4lambda5-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ylium-2-yl}sulfanideBRN 4451113Cambridge id 5140652
Show more names
5,7-dimethyl-2-thio-1,3,4-thiadiazolo<3,2-a≥pyrimidine3,4-thiadiazolo(3,2-a)pyrimidin-4-ium,2,3-dihydro-5,7-dimethyl-2-thioxo-hy
MDA25383AKOS000115882AS-88367EN300-03028G36672Z56763762{5,7-dimethyl-4|E?-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ylium-2-yl}sulfanide5,?7-?Dimethyl-?2-?thioxo-1,?3,?4-?thiadiazolo[3,?2-?a]?pyrimidin-?4-?ium
Database identifiers
- CAS
87253-83-6- PubChem CID
- 786277
- DTXSID
DTXSID30236239
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
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Compound notes
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