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125928-18-9 | 3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-2-thione
CAS No: 125928-18-9 Catalog No: AG01B62F MDL No:MFCD13969021
Product Description
Catalog Number:
AG01B62F
Chemical Name:
3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-2-thione
CAS Number:
125928-18-9
Molecular Formula:
C13H15NO4S2
Molecular Weight:
313.3925
MDL Number:
MFCD13969021
IUPAC Name:
(2-sulfanylidene-1,3-thiazolidin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
InChI:
InChI=1S/C13H15NO4S2/c1-16-9-6-8(7-10(17-2)11(9)18-3)12(15)14-4-5-20-13(14)19/h6-7H,4-5H2,1-3H3
InChI Key:
WBGZGPFRJSWWNV-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)N1CCSC1=S
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.386g/mol
Monoisotopic Mass:
313.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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