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101619-99-2 | 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS No: 101619-99-2 Catalog No: AG01B61R MDL No:
Product Description
Catalog Number:
AG01B61R
Chemical Name:
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS Number:
101619-99-2
Molecular Formula:
C15H17NO4S2
Molecular Weight:
339.4298
IUPAC Name:
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H17NO4S2/c1-18-11-8-10(9-12(19-2)14(11)20-3)4-5-13(17)16-6-7-22-15(16)21/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
FNXVIMLGINJXIS-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)N2CCSC2=S)cc(c1OC)OC
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.424g/mol
Monoisotopic Mass:
339.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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