Home Other Building Blocks 4-Carboxy-2,1-benzisothiazol

4-Carboxy-2,1-benzisothiazol

CAS No.:
56910-99-7
Catalog Number:
AG00EFZL
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$371
- +
250mg
95%
1 week
United States
$621
- +
1g
95%
1 week
United States
$1217
- +
Product Description
Catalog Number:
AG00EFZL
Chemical Name:
4-Carboxy-2,1-benzisothiazol
CAS Number:
56910-99-7
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD20040383
IUPAC Name:
2,1-benzothiazole-4-carboxylic acid
InChI:
InChI=1S/C8H5NO2S/c10-8(11)5-2-1-3-7-6(5)4-12-9-7/h1-4H,(H,10,11)
InChI Key:
YAFYLKLDOSWFAI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1csn2
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties