200,000+ products from a single source!
sales@angenechem.com
89597-71-7 | Acetic acid, [[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]thio]-
CAS No: 89597-71-7 Catalog No: AG003XJI MDL No:
Product Description
Catalog Number:
AG003XJI
Chemical Name:
Acetic acid, [[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]thio]-
CAS Number:
89597-71-7
Molecular Formula:
C13H13NO4S2
Molecular Weight:
311.3766
IUPAC Name:
2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]sulfanylacetic acid
InChI:
InChI=1S/C13H13NO4S2/c1-10-2-4-12(5-3-10)20(17,18)14-7-6-11(8-14)19-9-13(15)16/h2-8H,9H2,1H3,(H,15,16)
InChI Key:
YFIHXEXAHNPHIA-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.37g/mol
Monoisotopic Mass:
311.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.