Name: Name:2-[(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid
Brand: Angene
SKU: AG019O8Y
Rating: 90 (10 reviews)

2-[(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid

CAS No.:

852218-22-5

Catalog Number:

AG019O8Y

Molecular Formula:

C11H14N2O3S

Molecular Weight:

254.3055

Catalog Number:

AG019O8Y

Chemical Name:

2-[(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetic acid

CAS Number:

852218-22-5

Molecular Formula:

C11H14N2O3S

Molecular Weight:

254.3055

MDL Number:

MFCD06660540

IUPAC Name:

2-(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanylacetic acid

InChI:

InChI=1S/C11H14N2O3S/c1-5-6(2)9(10(12)16)11(13-7(5)3)17-4-8(14)15/h4H2,1-3H3,(H2,12,16)(H,14,15)

InChI Key:

YFWWWLSUYXRYCH-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nc(C)c(c(c1C(=O)N)C)C

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.304g/mol

Monoisotopic Mass:

254.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3