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10254-56-5 | 1-Piperidinecarbodithioic acid, 1-piperidinylmethyl ester
CAS No: 10254-56-5 Catalog No: AG0007OG MDL No:
Product Description
Catalog Number:
AG0007OG
Chemical Name:
1-Piperidinecarbodithioic acid, 1-piperidinylmethyl ester
CAS Number:
10254-56-5
Molecular Formula:
C12H22N2S2
Molecular Weight:
258.4465
IUPAC Name:
piperidin-1-ylmethyl piperidine-1-carbodithioate
InChI:
InChI=1S/C12H22N2S2/c15-12(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-11H2
InChI Key:
AWYLSCOPECUDJN-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCC1)SCN1CCCCC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.442g/mol
Monoisotopic Mass:
258.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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