Home Other Building Blocks 4-Isothiazoleacetic acid

4-Isothiazoleacetic acid

CAS No.:
10271-93-9
Catalog Number:
AG00086T
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
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Product Description
Catalog Number:
AG00086T
Chemical Name:
4-Isothiazoleacetic acid
CAS Number:
10271-93-9
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD19228413
IUPAC Name:
2-(1,2-thiazol-4-yl)acetic acid
InChI:
InChI=1S/C5H5NO2S/c7-5(8)1-4-2-6-9-3-4/h2-3H,1H2,(H,7,8)
InChI Key:
AVKFDJHAYWIHMX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csnc1
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:
1  
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties