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76151-59-2 | Benzothiazole, 2-[(1-methylethyl)sulfonyl]-
CAS No: 76151-59-2 Catalog No: AG0057NJ MDL No:
Product Description
Catalog Number:
AG0057NJ
Chemical Name:
Benzothiazole, 2-[(1-methylethyl)sulfonyl]-
CAS Number:
76151-59-2
Molecular Formula:
C10H11NO2S2
Molecular Weight:
241.3298
IUPAC Name:
2-propan-2-ylsulfonyl-1,3-benzothiazole
InChI:
InChI=1S/C10H11NO2S2/c1-7(2)15(12,13)10-11-8-5-3-4-6-9(8)14-10/h3-7H,1-2H3
InChI Key:
BXSCRVCKPNPTDY-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)c1nc2c(s1)cccc2)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.323g/mol
Monoisotopic Mass:
241.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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