Home Carboxys Isothiazole-5-carboxylic acid methyl ester

Isothiazole-5-carboxylic acid methyl ester

CAS No.:
15901-66-3
Catalog Number:
AG001QE8
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
97%
1 week
United States
$191
- +
250mg
97%
1 week
United States
$314
- +
1g
97%
1 week
United States
$730
- +
Product Description
Catalog Number:
AG001QE8
Chemical Name:
Isothiazole-5-carboxylic acid methyl ester
CAS Number:
15901-66-3
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD07369963
IUPAC Name:
methyl 1,2-thiazole-5-carboxylate
InChI:
InChI=1S/C5H5NO2S/c1-8-5(7)4-2-3-6-9-4/h2-3H,1H3
InChI Key:
SEHOXOITNPIETO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccns1
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.004g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties