Basic information
- CAS
512810-97-8- Standard SMILES
Cc1cc(C(=O)NNC(=S)NCc2ccco2)nn1C- InChIKey
IGPMLKRJYJXQPV-UHFFFAOYSA-N- Molecular formula
- C12H15N5O2S
- Average molar mass
- 293.35 g/mol
- Monoisotopic mass
- 293.09464591
Names & identifiers
- Preferred name
- 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid 2-(((2-furanylmethyl)amino)thioxomethyl)hydrazide
- IUPAC
- 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
- English name
- 2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-(2-furylmethyl)hydrazinecarbothioamide
- Molecular formula
- C12H15N5O2S
- Molecular weight
- 293.3448
Names & synonyms
512810-97-81,5-Dimethyl-1H-pyrazole-3-carboxylic acid 2-[[(2-furanylmethyl)amino]thioxomethyl]hydrazide1,5-Dimethyl-1H-pyrazole-3-carboxylic acid 2-(((2-furanylmethyl)amino)thioxomethyl)hydrazideRefChem:221317MLS0005505362-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-(2-furylmethyl)hydrazinecarbothioamideSMR0001149771-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea2-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)-N-[(furan-2-yl)methyl]hydrazine-1-carbothioamidecid_842829CHEMBL1444333BDBM53760
Show more names
DTXSID501120339STK956158AKOS003749423AK-968/411707051-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-furfuryl)thiourea1-[(1,5-dimethylpyrazol-3-yl)carbonylamino]-3-(furan-2-ylmethyl)thiourea1-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-furanylmethyl)thiourea2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-(furan-2-ylmethyl)hydrazinecarbothioamide
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…