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1092332-34-7 | 3-(4-tert-butylbenzoyl)-1,3-thiazolidine-2-thione
CAS No: 1092332-34-7 Catalog No: AG01B5T9 MDL No:MFCD13969018
Product Description
Catalog Number:
AG01B5T9
Chemical Name:
3-(4-tert-butylbenzoyl)-1,3-thiazolidine-2-thione
CAS Number:
1092332-34-7
Molecular Formula:
C14H17NOS2
Molecular Weight:
279.4209
MDL Number:
MFCD13969018
IUPAC Name:
(4-tert-butylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C14H17NOS2/c1-14(2,3)11-6-4-10(5-7-11)12(16)15-8-9-18-13(15)17/h4-7H,8-9H2,1-3H3
InChI Key:
GZXBSAVKXJJYFC-UHFFFAOYSA-N
SMILES:
O=C(N1CCSC1=S)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.416g/mol
Monoisotopic Mass:
279.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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