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1-Piperidinecarbodithioic Acid, Compd. With Piperidine (1:1)
CAS: 98-77-1 | C11H22N2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98-77-1
Molecular Formula:
C11H22N2S2
Molecular Mass:
246.44 g/mol
Names and Synonyms:
1-Piperidinecarbodithioic Acid, Compd. With Piperidine (1:1)
1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)
1-Piperidinecarbodithioic acid, compd. with piperidine
1-Piperidinecarbodithioic acid, piperidine salt
Piperidine, 1-piperidinecarbodithioate
Piperidinium N,N-pentamethylenedithiocarbamate
Piperidinium piperidinedithiocarbamate
PMP
PMP (accelerator)
Piperidinium 1-piperidinecarbodithioate
Accelerator 552
Pentamethylenedithiocarbamic acid piperidine salt
Nocceler PPD
NSC 1906
NSC 4712
Accel PP
Pipecolinium pipecolyldithiocarbamate
Identifiers:
SMILES:
C1CCNCC1.S=C(S)N1CCCCC1
InChI:
InChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2
Key Properties
Melting Point
172-173 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.44 g/mol | CAS Common Chemistry |
| 246.44499999999996 g/mol | RDKit | |
| 246.12244070399998 g/mol | RDKit | |
| Canonical SMILES | S=C(S)N1CCCCC1.N1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PVFZKRMYBKEXBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172-173 °C | CAS Common Chemistry |
| Name | 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 2.4469000000000003 | RDKit |
| Molar Refractivity | 73.72870000000005 | RDKit |
