200,000+ products from a single source!
sales@angenechem.com
146931-12-6 | 4-Piperidinecarboxylic acid, 1,1'-(dithiodicarbonothioyl)bis- (9CI)
CAS No: 146931-12-6 Catalog No: AG001EFZ MDL No:
Product Description
Catalog Number:
AG001EFZ
Chemical Name:
4-Piperidinecarboxylic acid, 1,1'-(dithiodicarbonothioyl)bis- (9CI)
CAS Number:
146931-12-6
Molecular Formula:
C14H20N2O4S4
Molecular Weight:
408.5796
IUPAC Name:
1-[(4-carboxypiperidine-1-carbothioyl)disulfanyl]carbothioylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C14H20N2O4S4/c17-11(18)9-1-5-15(6-2-9)13(21)23-24-14(22)16-7-3-10(4-8-16)12(19)20/h9-10H,1-8H2,(H,17,18)(H,19,20)
InChI Key:
YSPRXHVWQJWIQJ-UHFFFAOYSA-N
SMILES:
S=C(N1CCC(CC1)C(=O)O)SSC(=S)N1CCC(CC1)C(=O)O
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.031g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.564g/mol
Monoisotopic Mass:
408.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.