Name: Name:Propanoic acid, 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-
Brand: Angene
SKU: AG002P7W
Rating: 90 (10 reviews)

Propanoic acid, 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-

CAS No.:

247225-29-2

Catalog Number:

AG002P7W

Molecular Formula:

C9H12N2O2S

Molecular Weight:

212.2688

Catalog Number:

AG002P7W

Chemical Name:

Propanoic acid, 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-

CAS Number:

247225-29-2

Molecular Formula:

C9H12N2O2S

Molecular Weight:

212.2688

MDL Number:

MFCD00457968

IUPAC Name:

3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid

InChI:

InChI=1S/C9H12N2O2S/c1-6-5-7(2)11-9(10-6)14-4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)

InChI Key:

MULFLAMWNBZYLU-UHFFFAOYSA-N

SMILES:

OC(=O)CCSc1nc(C)cc(n1)C

Complexity:

191

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.267g/mol

Monoisotopic Mass:

212.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3