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Chlormethiazole Hydrochloride

CAT: 0572-TRC-C602013-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C602013-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6001-74-7
Synonyms
Thiazole, 5-(2-chloroethyl)-4-methyl-, hydrochloride (1:1); Thiazole, 5-(2-chloroethyl)-4-methyl-, hydrochloride (6CI,7CI,8CI,9CI); 5-(2-Chloroethyl)-4-methylthiazole hydrochloride; Chlormethiazole hydrochloride; Clomethiazole hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.Cc1ncsc1CCCl
Molecular Formula
C6 H8 Cl N S . Cl H
Molecular Weight
198.11
InChI
InChI=1S/C6H8ClNS.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H
Additionnal Information
IUPAC name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Clomethiazole hydrochloride
CAS Number6001-74-7
PubChem CID19035073
IUPAC Name5-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
Molecular FormulaC6H9Cl2NS
Molecular Weight198.11
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity89
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
2D structure of Clomethiazole hydrochloride
CAS: 6001-74-7
CID: 19035073
Formula: C6H9Cl2NS
MW: 198.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.11
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass196.9832759
Monoisotopic Mass196.9832759
Topological Polar Surface Area41.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity89.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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