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104208-20-0 | Benzamide, N-[2-(ethylthio)-6-benzothiazolyl]-
CAS No: 104208-20-0 Catalog No: AG008686 MDL No:
Product Description
Catalog Number:
AG008686
Chemical Name:
Benzamide, N-[2-(ethylthio)-6-benzothiazolyl]-
CAS Number:
104208-20-0
Molecular Formula:
C16H14N2OS2
Molecular Weight:
314.4252
IUPAC Name:
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)benzamide
InChI:
InChI=1S/C16H14N2OS2/c1-2-20-16-18-13-9-8-12(10-14(13)21-16)17-15(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,19)
InChI Key:
FVXZBSNTNPDZKZ-UHFFFAOYSA-N
SMILES:
CCSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.421g/mol
Monoisotopic Mass:
314.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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