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52561-04-3 | 4-(2-Thienyl)-1,3-thiazole-2-thiol
CAS No: 52561-04-3 Catalog No: AG01E8F0 MDL No:
Product Description
Catalog Number:
AG01E8F0
Chemical Name:
4-(2-Thienyl)-1,3-thiazole-2-thiol
CAS Number:
52561-04-3
Molecular Formula:
C7H5NS3
Molecular Weight:
199.3163
IUPAC Name:
4-thiophen-2-yl-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C7H5NS3/c9-7-8-5(4-11-7)6-2-1-3-10-6/h1-4H,(H,8,9)
InChI Key:
XQKXMSMXFMHYTE-UHFFFAOYSA-N
SMILES:
Sc1scc(n1)c1cccs1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.304g/mol
Monoisotopic Mass:
198.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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