Basic information
- CAS
859485-25-9- Standard SMILES
Cc1cs/c(=N/C(N)=O)n1C- InChIKey
PFSORYKSPHVIBB-SOFGYWHQSA-N- Molecular formula
- C6H9N3OS
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.04663309
Names & identifiers
- Preferred name
- N-(3,4-Dimethyl-1,3-thiazol-2(3H)-ylidene)urea
- IUPAC
- (E)-(3,4-dimethyl-1,3-thiazol-2-ylidene)urea
Names & synonyms
DTXSID20719521859485-25-9N-(3,4-Dimethyl-1,3-thiazol-2(3H)-ylidene)ureaN-[(2E)-3,4-Dimethyl-1,3-thiazol-2(3H)-ylidene]urea
Database identifiers
- CAS
859485-25-9- PubChem CID
- 56972467
- DTXSID
DTXSID20719521
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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