200,000+ products from a single source!
sales@angenechem.com
234445-61-5 | 4-Thiazolecarboxylic acid, 2-(1-methylethyl)-
CAS No: 234445-61-5 Catalog No: AG002N94 MDL No:MFCD09055228
Product Description
Catalog Number:
AG002N94
Chemical Name:
4-Thiazolecarboxylic acid, 2-(1-methylethyl)-
CAS Number:
234445-61-5
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD09055228
IUPAC Name:
2-propan-2-yl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C7H9NO2S/c1-4(2)6-8-5(3-11-6)7(9)10/h3-4H,1-2H3,(H,9,10)
InChI Key:
XHYVJUUPYNCLHY-UHFFFAOYSA-N
SMILES:
CC(c1scc(n1)C(=O)O)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.