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1092291-23-0 | 3-(3,5-dimethylbenzoyl)-1,3-thiazolidine-2-thione
CAS No: 1092291-23-0 Catalog No: AG01B5WP MDL No:MFCD11108879
Product Description
Catalog Number:
AG01B5WP
Chemical Name:
3-(3,5-dimethylbenzoyl)-1,3-thiazolidine-2-thione
CAS Number:
1092291-23-0
MDL Number:
MFCD11108879
IUPAC Name:
(3,5-dimethylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C12H13NOS2/c1-8-5-9(2)7-10(6-8)11(14)13-3-4-16-12(13)15/h5-7H,3-4H2,1-2H3
InChI Key:
XCRWDPRGCYBZMA-UHFFFAOYSA-N
SMILES:
O=C(N1CCSC1=S)c1cc(C)cc(c1)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.362g/mol
Monoisotopic Mass:
251.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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