1-Cyclopropyl-2-mercapto-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one - CAS 1011376-38-7

Name: 1-Cyclopropyl-2-mercapto-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB049151
Product Name:	1-Cyclopropyl-2-mercapto-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
CAS:	1011376-38-7
Synonyms:	1-cyclopropyl-5,7-dimethyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one; pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopropyl-2-mercapto-5,7-dimethyl-; 1-Cyclopropyl-5,7-dimethyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one; 1-cyclopropyl-5,7-dimethyl-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidin-4-one

Technical Data

IUPAC Name:	1-cyclopropyl-5,7-dimethyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
Description:	1-Cyclopropyl-2-mercapto-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one (CAS# 1011376-38-7 ) is a useful research chemical.
Molecular Weight:	247.32
Molecular Formula:	C12H13N3OS
Canonical SMILES:	CC1=CC(=NC2=C1C(=O)NC(=S)N2C3CC3)C
InChI:	InChI=1S/C12H13N3OS/c1-6-5-7(2)13-10-9(6)11(16)14-12(17)15(10)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,14,16,17)
InChI Key:	COFRZFPQNHKKLF-UHFFFAOYSA-N
Boiling Point:	440.7±55.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.5±0.1 g/cm³

Complexity:	369
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.07793322
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.07793322
Rotatable Bond Count:	1
Topological Polar Surface Area:	77.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8