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25445-02-7 | 5-PHENYLTHIAZOLE-2-THIOL
CAS No: 25445-02-7 Catalog No: AG00BEOI MDL No:
Product Description
Catalog Number:
AG00BEOI
Chemical Name:
5-PHENYLTHIAZOLE-2-THIOL
CAS Number:
25445-02-7
Molecular Formula:
C9H7NS2
Molecular Weight:
193.2886
IUPAC Name:
5-phenyl-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C9H7NS2/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChI Key:
MWLSEYMWXVXBOW-UHFFFAOYSA-N
SMILES:
Sc1ncc(s1)c1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.282g/mol
Monoisotopic Mass:
193.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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