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Dicyclohexylthiourea
CAS: 1212-29-9 | C13H24N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1212-29-9
Molecular Formula:
C13H24N2S
Molecular Mass:
240.42 g/mol
Names and Synonyms:
Dicyclohexylthiourea
Thiourea, N,N′-dicyclohexyl-
Urea, 1,3-dicyclohexyl-2-thio-
N,N′-Dicyclohexylthiourea
sym-Dicyclohexylthiourea
1,3-Dicyclohexylthiourea
N,N′-Dicyclohexylthiocarbamide
1,3-Dicyclohexyl-2-thiourea
Dicyclohexylthiourea
1,3-Bis(cyclohexyl)thiourea
NSC 33443
Identifiers:
SMILES:
SC(=NC1CCCCC1)NC1CCCCC1
InChI:
InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
Key Properties
Melting Point
180-181 °C @ Solvent: Ethanol
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 | 240.42 g/mol | CAS Common Chemistry |
| 240.41599999999994 g/mol | RDKit | |
| 240.16601976799998 g/mol | RDKit | |
| Canonical SMILES | S=C(NC1CCCCC1)NC2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=KAJICSGLHKRDLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 180-181 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Dicyclohexylthiourea | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.39 Ų | RDKit |
| LogP | 3.5272000000000023 | RDKit |
| Molar Refractivity | 73.30270000000004 | RDKit |
