1-benzothiophene-5-carbonyl chloride - CAS 1128-89-8

Catalog:	BB003068
Product Name:	1-benzothiophene-5-carbonyl chloride
CAS:	1128-89-8
Synonyms:	1-benzothiophene-5-carbonyl chloride; 1-benzothiophene-5-carbonyl chloride

Technical Data

Patents

Computed Properties

IUPAC Name:	1-benzothiophene-5-carbonyl chloride
Description:	1-benzothiophene-5-carbonyl chloride (CAS# 1128-89-8 ) is a useful research chemical.
Molecular Weight:	196.648
Molecular Formula:	C9H5ClOS
Canonical SMILES:	C1=CC2=C(C=CS2)C=C1C(=O)Cl
InChI:	InChI=1S/C9H5ClOS/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChI Key:	YICARPJDZQGVQC-UHFFFAOYSA-N
Boiling Point:	309.5 °C at 760 mmHg
Density:	1.41 g/cm³
MDL:	MFCD04972639
LogP:	3.28030

Publication Number	Title	Priority Date
WO-2009049028-A1	Pyrrolopyrimidine compounds and their use as janus kinase modulators	20071009
EP-2094677-A1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
EP-2094677-B1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
US-2010144709-A1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
US-7960556-B2	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122

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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:	195.9749636
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.9749636
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6