Name: Name:[(3-Methyl-4-nitro-1h-pyrazol-5-yl)thio]acetic acid
Brand: Angene
SKU: AG00H1WE
Rating: 90 (10 reviews)

[(3-Methyl-4-nitro-1h-pyrazol-5-yl)thio]acetic acid

CAS No.:

879565-31-8

Catalog Number:

AG00H1WE

Molecular Formula:

C6H7N3O4S

Molecular Weight:

217.2025

Catalog Number:

AG00H1WE

Chemical Name:

[(3-Methyl-4-nitro-1h-pyrazol-5-yl)thio]acetic acid

CAS Number:

879565-31-8

Molecular Formula:

C6H7N3O4S

Molecular Weight:

217.2025

MDL Number:

MFCD00464488

IUPAC Name:

2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C6H7N3O4S/c1-3-5(9(12)13)6(8-7-3)14-2-4(10)11/h2H2,1H3,(H,7,8)(H,10,11)

InChI Key:

JGDROEATVKVVNF-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1[nH]nc(c1[N+](=O)[O-])C

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.199g/mol

Monoisotopic Mass:

217.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

137A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9