5-(3-Methylphenyl)thiophene-2-carbaldehyde - CAS 38401-69-3

Catalog:	BB023659
Product Name:	5-(3-Methylphenyl)thiophene-2-carbaldehyde
CAS:	38401-69-3
Synonyms:	5-(3-methylphenyl)-2-thiophenecarboxaldehyde; 5-(3-methylphenyl)thiophene-2-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(3-methylphenyl)thiophene-2-carbaldehyde
Description:	5-(3-Methylphenyl)thiophene-2-carbaldehyde (CAS# 38401-69-3 ) is a useful research chemical.
Molecular Weight:	202.27
Molecular Formula:	C12H10OS
Canonical SMILES:	CC1=CC=CC(=C1)C2=CC=C(S2)C=O
InChI:	InChI=1S/C12H10OS/c1-9-3-2-4-10(7-9)12-6-5-11(8-13)14-12/h2-8H,1H3
InChI Key:	BILVVFBPXNLUGU-UHFFFAOYSA-N
LogP:	3.53600

Publication Number	Title	Priority Date
US-2010216762-A1	Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof	20090210
WO-2010093704-A1	Agonists and antagonists of the s1p5 receptor, and methods of uses thereof	20090210
US-7459564-B2	Substituted biaryl compounds as factor XIa inhibitors	20050113
AU-677842-B2	Tetracyclic compounds as dopamine agonists	19930406
CA-2159481-C	Tetracyclic compounds as dopamine agonists	19930406

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Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.04523611
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.04523611
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4