Chlormethiazole hydrochloride

CAT: 0024-sc-203548Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203548Size:10 mg

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CAS Number

6001-74-7

Chemical Information

Clomethiazole hydrochloride

CAS Number	6001-74-7
PubChem CID	19035073
IUPAC Name	5-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
Molecular Formula	C6H9Cl2NS
Molecular Weight	198.11
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	89

SMILES

CC1=C(SC=N1)CCCl.Cl

InChI

InChI=1S/C6H8ClNS.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H

InChIKey

OFXYKSLKNMTBHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6001-74-7

CID: 19035073

Formula: C6H9Cl2NS

MW: 198.11

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	198.11
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	196.9832759
Monoisotopic Mass	196.9832759
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	89.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
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