Name: Name:2-[(4-formyl-1,3-dimethyl-1H-pyrazol-5-yl)sulfanyl]acetic acid
Brand: Angene
SKU: AG01A7NP
Rating: 90 (10 reviews)

2-[(4-formyl-1,3-dimethyl-1H-pyrazol-5-yl)sulfanyl]acetic acid

CAS No.:

1221725-60-5

Catalog Number:

AG01A7NP

Molecular Formula:

C8H10N2O3S

Molecular Weight:

214.2416

Catalog Number:

AG01A7NP

Chemical Name:

2-[(4-formyl-1,3-dimethyl-1H-pyrazol-5-yl)sulfanyl]acetic acid

CAS Number:

1221725-60-5

Molecular Formula:

C8H10N2O3S

Molecular Weight:

214.2416

MDL Number:

MFCD15209545

IUPAC Name:

2-(4-formyl-2,5-dimethylpyrazol-3-yl)sulfanylacetic acid

InChI:

InChI=1S/C8H10N2O3S/c1-5-6(3-11)8(10(2)9-5)14-4-7(12)13/h3H,4H2,1-2H3,(H,12,13)

InChI Key:

FVQKIBXHZIAYEQ-UHFFFAOYSA-N

SMILES:

O=Cc1c(C)nn(c1SCC(=O)O)C

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.239g/mol

Monoisotopic Mass:

214.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5