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1092332-54-1 | 3-(3,4,5-triethoxybenzoyl)-1,3-thiazolidine-2-thione
CAS No: 1092332-54-1 Catalog No: AG01B607 MDL No:MFCD13969022
Product Description
Catalog Number:
AG01B607
Chemical Name:
3-(3,4,5-triethoxybenzoyl)-1,3-thiazolidine-2-thione
CAS Number:
1092332-54-1
Molecular Formula:
C16H21NO4S2
Molecular Weight:
355.4722
MDL Number:
MFCD13969022
IUPAC Name:
(2-sulfanylidene-1,3-thiazolidin-3-yl)-(3,4,5-triethoxyphenyl)methanone
InChI:
InChI=1S/C16H21NO4S2/c1-4-19-12-9-11(15(18)17-7-8-23-16(17)22)10-13(20-5-2)14(12)21-6-3/h9-10H,4-8H2,1-3H3
InChI Key:
DEOMVDIGPMPUOU-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1OCC)OCC)C(=O)N1CCSC1=S
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.467g/mol
Monoisotopic Mass:
355.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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