Back to Search
Molecule
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
Identifiers
CAS Registry Number
2782-91-4
SMILES
CN(C)C(=S)N(C)C
InChI Key
MNOILHPDHOHILI-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3
Names and Synonyms
- Tetramethylthiourea Common Name
- Thiourea, N,N,N′,N′-tetramethyl- Synonym
- Urea, 1,1,3,3-tetramethyl-2-thio- Synonym
- Thiourea, tetramethyl- Synonym
- N,N,N′,N′-Tetramethylthiourea Synonym
- Tetramethylthiourea Synonym
- 1,1,3,3-Tetramethyl-2-thiourea Synonym
- Basthioryl Synonym
- NSC 102499 Synonym
- NA 101 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.23 g/mol | CAS Common Chemistry |
| 132.232 g/mol | RDKit | |
| 132.225 g/mol | chempirical lib | |
| 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 |
| 0.3945 | RDKit | |
| Molar Refractivity | 39.97200000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 132.072119384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 132.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12N2S.
