Cyanamide, N-(isoproppylamino)(methylthio)methylene-
Basic information
- CAS
5848-27-1- Standard SMILES
Cc1cc2sc3nc(=O)[nH]c(=O)n3c2cc1C- InChIKey
CXNSQRSRIRUHIW-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2S
- Average molar mass
- 247.28 g/mol
- Monoisotopic mass
- 247.04154771
Names & identifiers
- Preferred name
- Cyanamide, N-(isoproppylamino)(methylthio)methylene-
- IUPAC
- 7,8-dimethyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
- English name
- Cyanamide, N-(isoproppylamino)(methylthio)methylene-
- Molecular formula
- C6H11N3S
- Molecular weight
- 157.24
Names & synonyms
5848-27-1Cyanamide, N-(isoproppylamino)(methylthio)methylene-ST50112461DTXSID00411253AKOS0022345357,8-dimethyl-5-hydro-3H-1,3,5-triazino[6,1-b]benzothiazole-2,4-dione7,8-dimethyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dioneCarbamimidothioic acid, N-cyano-N'-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
5848-27-1- PubChem CID
- 5223634
- DTXSID
DTXSID00411253
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 423
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Compound notes
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