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3,4-Bis(chloromethyl)thiophene

3,4-Bis(chloromethyl)thiophene - CAS 18448-62-9

Catalog:	BB014143
Product Name:	3,4-Bis(chloromethyl)thiophene
CAS:	18448-62-9
Synonyms:	3,4-bis(chloromethyl)thiophene; 3,4-bis(chloromethyl)thiophene

Technical Data

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Computed Properties

IUPAC Name:	3,4-bis(chloromethyl)thiophene
Description:	3,4-Bis(chloromethyl)thiophene (CAS# 18448-62-9 ) is a useful research chemical.
Molecular Weight:	181.08
Molecular Formula:	C6H6Cl2S
Canonical SMILES:	C1=C(C(=CS1)CCl)CCl
InChI:	InChI=1S/C6H6Cl2S/c7-1-5-3-9-4-6(5)2-8/h3-4H,1-2H2
InChI Key:	HRLQHOSRQDOYMF-UHFFFAOYSA-N
LogP:	3.22570

Publication Number	Title	Priority Date
WO-2021115375-A1	Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof	20191211
AU-2009243756-A1	Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals	20080505
AU-2009243756-B2	Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals	20080505
CA-2723302-A1	Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals	20080505
CA-2723302-C	Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals	20080505

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Complexity:	77.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.9567268
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.9567268
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4