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91170-94-4 | 2-tert-butyl-1,3-benzothiazole-6-sulfonyl chloride
CAS No: 91170-94-4 Catalog No: AG019SR8 MDL No:MFCD20502227
Product Description
Catalog Number:
AG019SR8
Chemical Name:
2-tert-butyl-1,3-benzothiazole-6-sulfonyl chloride
CAS Number:
91170-94-4
Molecular Formula:
C11H12ClNO2S2
Molecular Weight:
289.8015
MDL Number:
MFCD20502227
IUPAC Name:
2-tert-butyl-1,3-benzothiazole-6-sulfonyl chloride
InChI:
InChI=1S/C11H12ClNO2S2/c1-11(2,3)10-13-8-5-4-7(17(12,14)15)6-9(8)16-10/h4-6H,1-3H3
InChI Key:
QGHLTLJQSWFYPT-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(s1)cc(cc2)S(=O)(=O)Cl)(C)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.792g/mol
Monoisotopic Mass:
289g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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