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16181-58-1 | Butanoic acid, 3-[2-(2-benzothiazolyl)hydrazinylidene]-, ethyl ester
CAS No: 16181-58-1 Catalog No: AG001VWW MDL No:
Product Description
Catalog Number:
AG001VWW
Chemical Name:
Butanoic acid, 3-[2-(2-benzothiazolyl)hydrazinylidene]-, ethyl ester
CAS Number:
16181-58-1
Molecular Formula:
C13H15N3O2S
Molecular Weight:
277.3421
IUPAC Name:
ethyl 3-(1,3-benzothiazol-2-ylhydrazinylidene)butanoate
InChI:
InChI=1S/C13H15N3O2S/c1-3-18-12(17)8-9(2)15-16-13-14-10-6-4-5-7-11(10)19-13/h4-7H,3,8H2,1-2H3,(H,14,16)
InChI Key:
SFFCBVRQEAXFDB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=NNc1nc2c(s1)cccc2)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.342g/mol
Monoisotopic Mass:
277.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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