2(3H)-Benzothiazolethione, 3-(chloromethyl)-


Chemical Name: 2(3H)-Benzothiazolethione, 3-(chloromethyl)-
CAS Number: 41526-42-5
Product Number: AG00C8L8(AGN-PC-0JVO7V)
Synonyms:
MDL No: MFCD00796314
Molecular Formula: C8H6ClNS2
Molecular Weight: 215.72294

Identification/Properties


Computed Properties
Molecular Weight:
215.713g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
214.963g/mol
Monoisotopic Mass:
214.963g/mol
Topological Polar Surface Area:
60.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
198
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


NMR Spectrum


Other Analytical Data


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