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313514-02-2 | 5-Thiazolecarbonylchloride, 2,3-dihydro-3,4-dimethyl-2-thioxo-
CAS No: 313514-02-2 Catalog No: AG007HGL MDL No:
Product Description
Catalog Number:
AG007HGL
Chemical Name:
5-Thiazolecarbonylchloride, 2,3-dihydro-3,4-dimethyl-2-thioxo-
CAS Number:
313514-02-2
Molecular Formula:
C6H6ClNOS2
Molecular Weight:
207.7009
IUPAC Name:
3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl chloride
InChI:
InChI=1S/C6H6ClNOS2/c1-3-4(5(7)9)11-6(10)8(3)2/h1-2H3
InChI Key:
OWIYDMZOLVOYTA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1sc(=S)n(c1C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.69g/mol
Monoisotopic Mass:
206.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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