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1163123-64-5 | Benzothiazole, 7-chloro-2-(methylsulfinyl)-
CAS No: 1163123-64-5 Catalog No: AG000C5T MDL No:MFCD19441534
Product Description
Catalog Number:
AG000C5T
Chemical Name:
Benzothiazole, 7-chloro-2-(methylsulfinyl)-
CAS Number:
1163123-64-5
Molecular Formula:
C8H6ClNOS2
Molecular Weight:
231.7223
MDL Number:
MFCD19441534
IUPAC Name:
7-chloro-2-methylsulfinyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6ClNOS2/c1-13(11)8-10-6-4-2-3-5(9)7(6)12-8/h2-4H,1H3
InChI Key:
WNRRMUTZTPWOKD-UHFFFAOYSA-N
SMILES:
CS(=O)c1nc2c(s1)c(Cl)ccc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.712g/mol
Monoisotopic Mass:
230.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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