1-Ethyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid - CAS 938002-52-9

Name: 1-Ethyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB049154
Product Name:	1-Ethyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
CAS:	938002-52-9
Synonyms:	1-ethyl-7-methyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid; 1-ethyl-7-methyl-4-oxo-2-sulfanylhydropyridino[2,3-d]pyrimidine-5-carboxylic acid; 1-ethyl-7-methyl-4-oxo-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid; pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1-ethyl-1,4-dihydro-2-mercapto-7-methyl-4-oxo-

Technical Data

IUPAC Name:	1-ethyl-7-methyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid
Description:	1-Ethyl-2-mercapto-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid (CAS# 938002-52-9 ) is a useful research chemical.
Molecular Weight:	265.29
Molecular Formula:	C11H11N3O3S
Canonical SMILES:	CCN1C2=NC(=CC(=C2C(=O)NC1=S)C(=O)O)C
InChI:	InChI=1S/C11H11N3O3S/c1-3-14-8-7(9(15)13-11(14)18)6(10(16)17)4-5(2)12-8/h4H,3H2,1-2H3,(H,16,17)(H,13,15,18)
InChI Key:	WEJLGCQLJPCLLH-UHFFFAOYSA-N
Boiling Point:	568.0±60.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.5±0.1 g/cm³

Complexity:	401
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.05211239
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	265.05211239
Rotatable Bond Count:	2
Topological Polar Surface Area:	115
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8