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29418-16-4 | N-phenylbenzothiazole-2-sulfenamide
CAS No: 29418-16-4 Catalog No: AG00CF7S MDL No:
Product Description
Catalog Number:
AG00CF7S
Chemical Name:
N-phenylbenzothiazole-2-sulfenamide
CAS Number:
29418-16-4
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)aniline
InChI:
InChI=1S/C13H10N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h1-9,15H
InChI Key:
UQZVTALCNXYOKW-UHFFFAOYSA-N
NSC Number:
30137
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.357g/mol
Monoisotopic Mass:
258.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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