2-Methylsulfanyl-4-phenylpyrimidine - CAS 56734-10-2

Catalog:	BB029476
Product Name:	2-Methylsulfanyl-4-phenylpyrimidine
CAS:	56734-10-2
Synonyms:	2-methylthio-4-phenylpyrimidine; 2-Methylmercapto-4-phenyl-pyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methylsulfanyl-4-phenylpyrimidine
Description:	2-Methylsulfanyl-4-phenylpyrimidine (CAS# 56734-10-2) is a useful research chemical.
Molecular Weight:	202.28
Molecular Formula:	C11H10N2S
Canonical SMILES:	CSC1=NC=CC(=N1)C2=CC=CC=C2
InChI:	InChI=1S/C11H10N2S/c1-14-11-12-8-7-10(13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:	LHQHZLLOGPDNGV-UHFFFAOYSA-N
Melting Point:	86-87 °C
Purity:	≥ 95 %
Appearance:	Powder
LogP:	2.86550

Publication Number	Title	Priority Date
KR-101717601-B1	Novel compound or pharmaceutically acceptable salt thereof and pharmaceutical composition for prevention or treatment of disease caused by influenza virus infection containing the same as an active ingredient	20151110
KR-20150134301-A	Novel compound or pharmaceutically acceptable salt thereof and pharmaceutical composition for prevention or treatment of disease caused by influenza virus infection containing the same as an active ingredient	20151110
KR-101715090-B1	Novel compound or pharmaceutically acceptable salt thereof and pharmaceutical composition for prevention or treatment of disease caused by influenza virus infection containing the same as an active ingredient	20130828
KR-20150025531-A	Novel compound or pharmaceutically acceptable salt thereof and pharmaceutical composition for prevention or treatment of disease caused by influenza virus infection containing the same as an active ingredient	20130828
WO-2011008931-A2	Arylpyrimidine compounds and combination therapy comprising same for treating cystic fibrosis & related disorders	20090715

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Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.0564695
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.0564695
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7