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Tetramethylthiourea
CAS: 2782-91-4 | C5H12N2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2782-91-4
Molecular Formula:
C5H12N2S
Molecular Mass:
132.23 g/mol
Names and Synonyms:
Tetramethylthiourea
Thiourea, N,N,N′,N′-tetramethyl-
Urea, 1,1,3,3-tetramethyl-2-thio-
Thiourea, tetramethyl-
N,N,N′,N′-Tetramethylthiourea
Tetramethylthiourea
1,1,3,3-Tetramethyl-2-thiourea
Basthioryl
NSC 102499
NA 101
Identifiers:
SMILES:
CN(C)C(=S)N(C)C
InChI:
InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3
Key Properties
Boiling Point
245 °C
CAS Common Chemistry
Melting Point
9-78 °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 | 132.23 g/mol | CAS Common Chemistry |
| 132.232 g/mol | RDKit | |
| 132.072119384 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethylthiourea | CAS Common Chemistry |
| Boiling Point | 245 °C | CAS Common Chemistry |
| Canonical SMILES | S=C(N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MNOILHPDHOHILI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 9-78 °C | CAS Common Chemistry |
| Name | Tetramethylthiourea | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 0.3945000000000001 | RDKit |
| Molar Refractivity | 39.97200000000001 | RDKit |
