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268736-98-7 | (5E)-5-[(2-hydroxy-1-naphthyl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one
CAS No: 268736-98-7 Catalog No: AG00BEU1 MDL No:MFCD04969044
Product Description
Catalog Number:
AG00BEU1
Chemical Name:
(5E)-5-[(2-hydroxy-1-naphthyl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one
CAS Number:
268736-98-7
Molecular Formula:
C14H9NO2S2
Molecular Weight:
287.3568
MDL Number:
MFCD04969044
IUPAC Name:
1-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
InChI:
InChI=1S/C14H9NO2S2/c16-11-6-5-8-3-1-2-4-9(8)10(11)7-12-13(17)15-14(18)19-12/h1-7,17H,(H,15,18)
InChI Key:
GQFZTMPTEPAXKI-UHFFFAOYSA-N
SMILES:
SC1=NC(=O)/C(=C\c2c(O)ccc3c2cccc3)/S1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.351g/mol
Monoisotopic Mass:
287.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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