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149575-65-5 | 1,3-Benzothiazole-4-sulfonyl Chloride
CAS No: 149575-65-5 Catalog No: AG001LUG MDL No:MFCD16251206
Product Description
Catalog Number:
AG001LUG
Chemical Name:
1,3-Benzothiazole-4-sulfonyl Chloride
CAS Number:
149575-65-5
Molecular Formula:
C7H4ClNO2S2
Molecular Weight:
233.6952
MDL Number:
MFCD16251206
IUPAC Name:
1,3-benzothiazole-4-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO2S2/c8-13(10,11)6-3-1-2-5-7(6)9-4-12-5/h1-4H
InChI Key:
IAHKZUNYBBKBDO-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccc2c1ncs2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.684g/mol
Monoisotopic Mass:
232.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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