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81731-81-9 | 2-Thiazolidinethione, 4-butyl-5-phenyl-
CAS No: 81731-81-9 Catalog No: AG008LRN MDL No:
Product Description
Catalog Number:
AG008LRN
Chemical Name:
2-Thiazolidinethione, 4-butyl-5-phenyl-
CAS Number:
81731-81-9
Molecular Formula:
C13H17NS2
Molecular Weight:
251.4108
IUPAC Name:
4-butyl-5-phenyl-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C13H17NS2/c1-2-3-9-11-12(16-13(15)14-11)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3,(H,14,15)
InChI Key:
YIAGSXIYWWJUTR-UHFFFAOYSA-N
SMILES:
CCCCC1NC(=S)SC1c1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.406g/mol
Monoisotopic Mass:
251.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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