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29053-49-4 | 1-Piperidinecarbodithioic acid, 4-(dimethylamino)-
CAS No: 29053-49-4 Catalog No: AG002X6W MDL No:
Product Description
Catalog Number:
AG002X6W
Chemical Name:
1-Piperidinecarbodithioic acid, 4-(dimethylamino)-
CAS Number:
29053-49-4
Molecular Formula:
C8H16N2S2
Molecular Weight:
204.3560
IUPAC Name:
4-(dimethylamino)piperidine-1-carbodithioic acid
InChI:
InChI=1S/C8H16N2S2/c1-9(2)7-3-5-10(6-4-7)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChI Key:
DXEQYGVSRDSYKB-UHFFFAOYSA-N
SMILES:
CN(C1CCN(CC1)C(=S)S)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.35g/mol
Monoisotopic Mass:
204.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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