873072-42-5
3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER
Name3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD14706598
【English Synonyms】
【Formula】
C8 H8 N2 O2 S
【MolWeight】
196.229
【Inchi】
InChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12-2)13-7(5)10-9-4/h3H,1-2H3,(H,9,10)
【InChIKey】
InChIKey=MWEIZALZQKSIDX-UHFFFAOYSA-N
【SMILES】
Cc1c2cc(sc2[nH]n1)C(=O)OC
【MOL File】
3-METHYL-1H-THIENO[2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID METHYL ESTER.cml