Home Other Building Blocks METHYL 4-(1-METHYL-1H-PYRAZOL-5-YL)THIOPHENE-2-CARBOXYLATE

METHYL 4-(1-METHYL-1H-PYRAZOL-5-YL)THIOPHENE-2-CARBOXYLATE

CAS No.:
1047629-03-7
Catalog Number:
AG01DLYG
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
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Product Description
Catalog Number:
AG01DLYG
Chemical Name:
METHYL 4-(1-METHYL-1H-PYRAZOL-5-YL)THIOPHENE-2-CARBOXYLATE
CAS Number:
1047629-03-7
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD28137546
IUPAC Name:
methyl 4-(2-methylpyrazol-3-yl)thiophene-2-carboxylate
InChI:
InChI=1S/C10H10N2O2S/c1-12-8(3-4-11-12)7-5-9(15-6-7)10(13)14-2/h3-6H,1-2H3
InChI Key:
SQAGHVCQPPJZMO-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1)c1ccnn1C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties