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101620-25-1 | 3-(3,4-dimethoxyphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
CAS No: 101620-25-1 Catalog No: AG01B62G MDL No:
Product Description
Catalog Number:
AG01B62G
Chemical Name:
3-(3,4-dimethoxyphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
CAS Number:
101620-25-1
Molecular Formula:
C14H15NO3S2
Molecular Weight:
309.4038
IUPAC Name:
3-(3,4-dimethoxyphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
InChI:
InChI=1S/C14H15NO3S2/c1-17-11-5-3-10(9-12(11)18-2)4-6-13(16)15-7-8-20-14(15)19/h3-6,9H,7-8H2,1-2H3
InChI Key:
HPZCLQIOEWWRPK-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)N2CCSC2=S)ccc1OC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.049g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.398g/mol
Monoisotopic Mass:
309.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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