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304660-64-8 | Benzothiazole, 6-(methylsulfonyl)-
CAS No: 304660-64-8 Catalog No: AG00307C MDL No:MFCD01961205
Product Description
Catalog Number:
AG00307C
Chemical Name:
Benzothiazole, 6-(methylsulfonyl)-
CAS Number:
304660-64-8
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
MDL Number:
MFCD01961205
IUPAC Name:
6-methylsulfonyl-1,3-benzothiazole
InChI:
InChI=1S/C8H7NO2S2/c1-13(10,11)6-2-3-7-8(4-6)12-5-9-7/h2-5H,1H3
InChI Key:
ZNXWTUYINKTBHA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc2c(c1)scn2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.269g/mol
Monoisotopic Mass:
212.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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