Benzo[b]thiophene-2-sulfonyl chloride


Chemical Name: Benzo[b]thiophene-2-sulfonyl chloride
CAS Number: 90001-64-2
Product Number: AG00GS86(AGN-PC-0KKXGH)
Synonyms:
MDL No:
Molecular Formula: C8H5ClO2S2
Molecular Weight: 232.7071

Identification/Properties


Computed Properties
Molecular Weight:
232.696g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
231.942g/mol
Monoisotopic Mass:
231.942g/mol
Topological Polar Surface Area:
70.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
283
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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