Name: Name:1,3-dimethyl-5-(phenylsulfanyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01ACHK
Rating: 90 (10 reviews)

1,3-dimethyl-5-(phenylsulfanyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1405124-86-8

Catalog Number:

AG01ACHK

Molecular Formula:

C12H12N2O2S

Molecular Weight:

248.3009

Catalog Number:

AG01ACHK

Chemical Name:

1,3-dimethyl-5-(phenylsulfanyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1405124-86-8

Molecular Formula:

C12H12N2O2S

Molecular Weight:

248.3009

MDL Number:

MFCD18615792

IUPAC Name:

1,3-dimethyl-5-phenylsulfanylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C12H12N2O2S/c1-8-10(12(15)16)11(14(2)13-8)17-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,15,16)

InChI Key:

DYJPXFCOASLTEC-UHFFFAOYSA-N

SMILES:

Cn1nc(c(c1Sc1ccccc1)C(=O)O)C

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.3g/mol

Monoisotopic Mass:

248.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6