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67219-33-4 | Benzothiazole, 2-[(phenylmethyl)sulfonyl]-
CAS No: 67219-33-4 Catalog No: AG005Q3P MDL No:
Product Description
Catalog Number:
AG005Q3P
Chemical Name:
Benzothiazole, 2-[(phenylmethyl)sulfonyl]-
CAS Number:
67219-33-4
Molecular Formula:
C14H11NO2S2
Molecular Weight:
289.3726
IUPAC Name:
2-benzylsulfonyl-1,3-benzothiazole
InChI:
InChI=1S/C14H11NO2S2/c16-19(17,10-11-6-2-1-3-7-11)14-15-12-8-4-5-9-13(12)18-14/h1-9H,10H2
InChI Key:
JOGKYWBQKGULJT-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc2c(s1)cccc2)Cc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.367g/mol
Monoisotopic Mass:
289.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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