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64345-00-2 | Benzothiazole,2-(phenylsulfonyl)-
CAS No: 64345-00-2 Catalog No: AG00H8IB MDL No:
Product Description
Catalog Number:
AG00H8IB
Chemical Name:
Benzothiazole,2-(phenylsulfonyl)-
CAS Number:
64345-00-2
Molecular Formula:
C13H9NO2S2
Molecular Weight:
275.3461
IUPAC Name:
2-(benzenesulfonyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H9NO2S2/c15-18(16,10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)17-13/h1-9H
InChI Key:
LXSLRBQXKPGTHX-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc2c(s1)cccc2)c1ccccc1
NSC Number:
85541
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.34g/mol
Monoisotopic Mass:
275.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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