Name: Name:methyl 5-(benzylsulfanyl)-3-methyl-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG01ACM5
Rating: 90 (10 reviews)

methyl 5-(benzylsulfanyl)-3-methyl-1H-pyrazole-4-carboxylate

CAS No.:

73743-53-0

Catalog Number:

AG01ACM5

Molecular Formula:

C13H14N2O2S

Molecular Weight:

262.3275

Catalog Number:

AG01ACM5

Chemical Name:

methyl 5-(benzylsulfanyl)-3-methyl-1H-pyrazole-4-carboxylate

CAS Number:

73743-53-0

Molecular Formula:

C13H14N2O2S

Molecular Weight:

262.3275

MDL Number:

MFCD26936055

IUPAC Name:

methyl 3-benzylsulfanyl-5-methyl-1H-pyrazole-4-carboxylate

InChI:

InChI=1S/C13H14N2O2S/c1-9-11(13(16)17-2)12(15-14-9)18-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)

InChI Key:

BZXKDGKEKUGNIU-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(SCc2ccccc2)[nH]nc1C

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.327g/mol

Monoisotopic Mass:

262.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8