3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile
Basic information
- CAS
83253-37-6- Standard SMILES
Cc1nc2n(c1C#N)CCS2- InChIKey
YZVQPOXQTBOFSJ-UHFFFAOYSA-N- Molecular formula
- C7H7N3S
- Average molar mass
- 165.22 g/mol
- Monoisotopic mass
- 165.03606841
Names & identifiers
- Preferred name
- 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile
- IUPAC
- 6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
Names & synonyms
83253-37-66-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile3-methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrileNSC332758DTXSID00318591AKOS005144846NSC-332758
Database identifiers
- CAS
83253-37-6- PubChem CID
- 333048
- DTXSID
DTXSID00318591
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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