200,000+ products from a single source!
sales@angenechem.com
15901-72-1 | 4-Isothiazolecarboxylic acid, 3-(hydroxymethyl)-
CAS No: 15901-72-1 Catalog No: AG001QFH MDL No:
Product Description
Catalog Number:
AG001QFH
Chemical Name:
4-Isothiazolecarboxylic acid, 3-(hydroxymethyl)-
CAS Number:
15901-72-1
Molecular Formula:
C5H5NO3S
Molecular Weight:
159.1631
IUPAC Name:
3-(hydroxymethyl)-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H5NO3S/c7-1-4-3(5(8)9)2-10-6-4/h2,7H,1H2,(H,8,9)
InChI Key:
LMTWBQNAVNKXHI-UHFFFAOYSA-N
SMILES:
OCc1nscc1C(=O)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.159g/mol
Monoisotopic Mass:
158.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.