200,000+ products from a single source!
sales@angenechem.com
20975-45-5 | Carbonic acid, thio-, anhydrosulfide with 3-chloro-4-iododithiocarbanilic acid, ethyl ester (8CI)
CAS No: 20975-45-5 Catalog No: AG002KEK MDL No:
Product Description
Catalog Number:
AG002KEK
Chemical Name:
Carbonic acid, thio-, anhydrosulfide with 3-chloro-4-iododithiocarbanilic acid, ethyl ester (8CI)
CAS Number:
20975-45-5
Molecular Formula:
C10H9ClINO2S2
Molecular Weight:
401.6714
IUPAC Name:
ethyl (3-chloro-4-iodophenyl)carbamothioylsulfanylformate
InChI:
InChI=1S/C10H9ClINO2S2/c1-2-15-10(14)17-9(16)13-6-3-4-8(12)7(11)5-6/h3-5H,2H2,1H3,(H,13,16)
InChI Key:
PWJDWIZMRNBYSK-UHFFFAOYSA-N
SMILES:
CCOC(=O)SC(=S)Nc1ccc(c(c1)Cl)I
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.881g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.661g/mol
Monoisotopic Mass:
400.881g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.