200,000+ products from a single source!
sales@angenechem.com
22938-55-2 | Benzenesulfonic acid, 5-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-2-methoxy-, sodium salt (1:1)
CAS No: 22938-55-2 Catalog No: AG002LL3 MDL No:
Product Description
Catalog Number:
AG002LL3
Chemical Name:
Benzenesulfonic acid, 5-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-2-methoxy-, sodium salt (1:1)
CAS Number:
22938-55-2
Molecular Formula:
C18H21N2NaO5S2
Molecular Weight:
432.4895
IUPAC Name:
sodium;5-[(4-butoxyphenyl)carbamothioylamino]-2-methoxybenzenesulfonate
InChI:
InChI=1S/C18H22N2O5S2.Na/c1-3-4-11-25-15-8-5-13(6-9-15)19-18(26)20-14-7-10-16(24-2)17(12-14)27(21,22)23;/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,26)(H,21,22,23);/q;+1/p-1
InChI Key:
CXOFQUZLIPRLKC-UHFFFAOYSA-M
SMILES:
CCCCOc1ccc(cc1)NC(=S)Nc1ccc(c(c1)S(=O)(=O)[O-])OC.[Na+]
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.079g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.485g/mol
Monoisotopic Mass:
432.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.