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690631-93-7 | 5-(2-METHYL-1,3-THIAZOL-4-YL)-2-THIOPHENECARBONYL CHLORIDE
CAS No: 690631-93-7 Catalog No: AG005LS2 MDL No:
Product Description
Catalog Number:
AG005LS2
Chemical Name:
5-(2-METHYL-1,3-THIAZOL-4-YL)-2-THIOPHENECARBONYL CHLORIDE
CAS Number:
690631-93-7
Molecular Formula:
C9H6ClNOS2
Molecular Weight:
243.7330
IUPAC Name:
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbonyl chloride
InChI:
InChI=1S/C9H6ClNOS2/c1-5-11-6(4-13-5)7-2-3-8(14-7)9(10)12/h2-4H,1H3
InChI Key:
ZZDMLMTYYXWSBJ-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1ccc(s1)C(=O)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.723g/mol
Monoisotopic Mass:
242.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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