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123435-53-0 | 1-Piperidinecarbodithioic acid, 2,2-dimethoxyethyl ester
CAS No: 123435-53-0 Catalog No: AG000KKI MDL No:
Product Description
Catalog Number:
AG000KKI
Chemical Name:
1-Piperidinecarbodithioic acid, 2,2-dimethoxyethyl ester
CAS Number:
123435-53-0
Molecular Formula:
C10H19NO2S2
Molecular Weight:
249.3934
IUPAC Name:
2,2-dimethoxyethyl piperidine-1-carbodithioate
InChI:
InChI=1S/C10H19NO2S2/c1-12-9(13-2)8-15-10(14)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChI Key:
JVEXAZIFPMELOF-UHFFFAOYSA-N
SMILES:
COC(CSC(=S)N1CCCCC1)OC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.387g/mol
Monoisotopic Mass:
249.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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