3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile
Basic information
- CAS
4886-20-8- Standard SMILES
CS(=O)c1nsc(S(C)=O)c1C#N- InChIKey
CTONUQCYVPRSER-UHFFFAOYSA-N- Molecular formula
- C6H6N2O2S3
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 233.95914096
Names & identifiers
- Preferred name
- 3,5-Bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile
- IUPAC
- 3,5-bis(methylsulfinyl)-1,2-thiazole-4-carbonitrile
Names & synonyms
4886-20-83,5-bis(methylsulfinyl)-1,2-thiazole-4-carbonitrileNSC202681DTXSID60308195NSC-202681DS-0046493,5-Bis(methylsulfinyl)thiazole-4-carbonitrile3,5-Di(methanesulfinyl)-1,2-thiazole-4-carbonitrile
Database identifiers
- CAS
4886-20-8- PubChem CID
- 305647
- DTXSID
DTXSID60308195
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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