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669747-24-4 | (E);-5-(2-Ethoxy-3-methoxybenzylidene);-2-mercaptothiazol-4(5H);-one
CAS No: 669747-24-4 Catalog No: AG005RW8 MDL No:MFCD04057293
Product Description
Catalog Number:
AG005RW8
Chemical Name:
(E);-5-(2-Ethoxy-3-methoxybenzylidene);-2-mercaptothiazol-4(5H);-one
CAS Number:
669747-24-4
Molecular Formula:
C13H13NO3S2
Molecular Weight:
295.3772
MDL Number:
MFCD04057293
IUPAC Name:
(5E)-5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H13NO3S2/c1-3-17-11-8(5-4-6-9(11)16-2)7-10-12(15)14-13(18)19-10/h4-7H,3H2,1-2H3,(H,14,15,18)/b10-7+
InChI Key:
LXMUIZLLTWJBNZ-JXMROGBWSA-N
SMILES:
CCOc1c(cccc1OC)/C=C\1/SC(=NC1=O)S
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
295.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.371g/mol
Monoisotopic Mass:
295.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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