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1908-90-3 | 2-Thiazolidinethione, 4-phenyl-
CAS No: 1908-90-3 Catalog No: AG002EU3 MDL No:
Product Description
Catalog Number:
AG002EU3
Chemical Name:
2-Thiazolidinethione, 4-phenyl-
CAS Number:
1908-90-3
Molecular Formula:
C9H9NS2
Molecular Weight:
195.3045
IUPAC Name:
4-phenyl-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C9H9NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChI Key:
IEXSISKCCADMLK-UHFFFAOYSA-N
SMILES:
S=C1SCC(N1)c1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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