5-Methoxybenzothiophene-2-carbaldehyde - CAS 622864-56-6

Catalog:	BB031503
Product Name:	5-Methoxybenzothiophene-2-carbaldehyde
CAS:	622864-56-6
Synonyms:	5-methoxy-1-benzothiophene-2-carboxaldehyde; 5-methoxy-1-benzothiophene-2-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methoxy-1-benzothiophene-2-carbaldehyde
Description:	5-Methoxybenzothiophene-2-carbaldehyde (CAS# 622864-56-6) is a useful research chemical.
Molecular Weight:	192.23
Molecular Formula:	C10H8O2S
Canonical SMILES:	COC1=CC2=C(C=C1)SC(=C2)C=O
InChI:	InChI=1S/C10H8O2S/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-6H,1H3
InChI Key:	BUOLMHIRVKNQJJ-UHFFFAOYSA-N
Boiling Point:	343.412 °C at 760 mmHg
Density:	1.293 g/cm³
LogP:	2.72240

Publication Number	Title	Priority Date
CN-103992310-B	One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor	20130514
US-2012100566-A1	Chemiluminescent compositions, methods, assays and kits for oxidative enzymes	20090302
US-2005143349-A1	Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels	20031217
CA-2483496-A1	Inhibitors of checkpoint kinases (wee1 and chk1)	20020426
EP-1501831-A1	Inhibitors of checkpoint kinases (wee1 and chk1)	20020426

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Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.02450067
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.02450067
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7