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326886-04-8 | (2E)-2-[(E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CAS No: 326886-04-8 Catalog No: AG00ISXN MDL No:MFCD01211421
Product Description
Catalog Number:
AG00ISXN
Chemical Name:
(2E)-2-[(E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CAS Number:
326886-04-8
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
MDL Number:
MFCD01211421
IUPAC Name:
2-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H13N3O2S/c1-8(9-3-5-10(17-2)6-4-9)14-15-12-13-11(16)7-18-12/h3-6H,7H2,1-2H3,(H,13,15,16)
InChI Key:
TYBRMYPGUSLXQJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C(=N/N=C\1/SCC(=O)N1)/C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.315g/mol
Monoisotopic Mass:
263.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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