Home Nitros 3-Methyl-5-nitrobenzoisothiazole

3-Methyl-5-nitrobenzoisothiazole

CAS No.:
35272-19-6
Catalog Number:
AG003JQ9
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$75
- +
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$425
- +
5g
95%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG003JQ9
Chemical Name:
3-Methyl-5-nitrobenzoisothiazole
CAS Number:
35272-19-6
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD01830323
IUPAC Name:
3-methyl-5-nitro-1,2-benzothiazole
InChI:
InChI=1S/C8H6N2O2S/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/h2-4H,1H3
InChI Key:
UUOMNUMWKBVHNG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(C)nsc2cc1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties