Home Carboxys 4-Isopropyl-1,2,3-thiadiazole-5-carboxylic acid

4-Isopropyl-1,2,3-thiadiazole-5-carboxylic acid

CAS No.:
183302-68-3
Catalog Number:
AG0027H5
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG0027H5
Chemical Name:
4-Isopropyl-1,2,3-thiadiazole-5-carboxylic acid
CAS Number:
183302-68-3
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD01935987
IUPAC Name:
4-propan-2-ylthiadiazole-5-carboxylic acid
InChI:
InChI=1S/C6H8N2O2S/c1-3(2)4-5(6(9)10)11-8-7-4/h3H,1-2H3,(H,9,10)
InChI Key:
PKBQERAJZXEWRH-UHFFFAOYSA-N
SMILES:
CC(c1nnsc1C(=O)O)C
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties