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1301739-54-7 | Thiazole, 5-(chloromethyl)-4-methyl-, hydrochloride (1:1)
CAS No: 1301739-54-7 Catalog No: AG000U32 MDL No:MFCD13186103
Product Description
Catalog Number:
AG000U32
Chemical Name:
Thiazole, 5-(chloromethyl)-4-methyl-, hydrochloride (1:1)
CAS Number:
1301739-54-7
Molecular Formula:
C5H7Cl2NS
Molecular Weight:
184.0868
MDL Number:
MFCD13186103
IUPAC Name:
5-(chloromethyl)-4-methyl-1,3-thiazole;hydrochloride
InChI:
InChI=1S/C5H6ClNS.ClH/c1-4-5(2-6)8-3-7-4;/h3H,2H2,1H3;1H
InChI Key:
JFMVEOHSNMMSSZ-UHFFFAOYSA-N
SMILES:
Cc1ncsc1CCl.Cl
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.968g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.078g/mol
Monoisotopic Mass:
182.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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