2-Mercapto-1,5,7-trimethylpyrido[2,3-D]pyrimidin-4(1H)-one - CAS 384342-02-3

Catalog:	BB049153
Product Name:	2-Mercapto-1,5,7-trimethylpyrido[2,3-D]pyrimidin-4(1H)-one
CAS:	384342-02-3
Synonyms:	1,5,7-trimethyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one; Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-1,5,7-trimethyl-2-thioxo-; 1,5,7-trimethyl-2-sulfanyl-1H,4H-pyrido[2,3-d]pyrimidin-4-one; 1,5,7-trimethyl-2-sulfanylhydropyridino[2,3-d]pyrimidin-4-one

Technical Data

IUPAC Name:	1,5,7-trimethyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
Description:	2-Mercapto-1,5,7-trimethylpyrido[2,3-D]pyrimidin-4(1H)-one (CAS# 384342-02-3 ) is a useful research chemical.
Molecular Weight:	221.28
Molecular Formula:	C10H11N3OS
Canonical SMILES:	CC1=CC(=NC2=C1C(=O)NC(=S)N2C)C
InChI:	InChI=1S/C10H11N3OS/c1-5-4-6(2)11-8-7(5)9(14)12-10(15)13(8)3/h4H,1-3H3,(H,12,14,15)
InChI Key:	CLNUGICORCVFAB-UHFFFAOYSA-N
Boiling Point:	403.0±55.0 °C at 760 mmHg
Density:	1.36±0.1 g/cm³ (Predicted)

Complexity:	307
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.06228316
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.06228316
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3