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Home > Thiazole > 1287651-60-8
1287651-60-8 | (5Z)-5-{[2-(benzyloxy)-3-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No: 1287651-60-8 Catalog No: AG00IXGB MDL No:MFCD02377000
Product Description
Catalog Number:
AG00IXGB
Chemical Name:
(5Z)-5-{[2-(benzyloxy)-3-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
1287651-60-8
Molecular Formula:
C18H15NO3S2
Molecular Weight:
357.4466
MDL Number:
MFCD02377000
IUPAC Name:
5-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H15NO3S2/c1-21-14-9-5-8-13(10-15-17(20)19-18(23)24-15)16(14)22-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,20,23)
InChI Key:
VECYDIQLHSUOKJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OCc1ccccc1)/C=C/1\SC(=S)NC1=O
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.442g/mol
Monoisotopic Mass:
357.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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