Home Sulfos 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride

2-Methyl-1,3-benzothiazole-6-sulfonyl chloride

CAS No.:
21431-13-0
Catalog Number:
AG0072DM
Molecular Formula:
C5H2Br2O3
Molecular Weight:
269.8756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG0072DM
Chemical Name:
2-Methyl-1,3-benzothiazole-6-sulfonyl chloride
CAS Number:
21431-13-0
Molecular Formula:
C5H2Br2O3
Molecular Weight:
269.8756
MDL Number:
MFCD03990571
IUPAC Name:
2-methyl-1,3-benzothiazole-6-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO2S2/c1-5-10-7-3-2-6(14(9,11)12)4-8(7)13-5/h2-4H,1H3
InChI Key:
PMMBRDLKYRRHMI-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc(c(c1)Br)Br
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.711g/mol
Monoisotopic Mass:
246.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties