Back to Search
Molecule
Lenthionine
CAS: 292-46-6 · C2H4S5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 292-46-6
- Molecular Formula
- C2H4S5
- Molecular Mass
- 188.39 g/mol
Identifiers
CAS Registry Number
292-46-6
SMILES
C1SSCSSS1
InChI Key
DZKOKXZNCDGVRY-UHFFFAOYSA-N
InChI
InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2
Names and Synonyms
- Lenthionine Synonym
- 1,2,3,5,6-Pentathiepane Synonym
- Lenthionine Synonym
- Lenthionin Synonym
- NSC 291119 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.39 g/mol | CAS Common Chemistry |
| 188.389 g/mol | RDKit | |
| 188.354 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lenthionine | CAS Common Chemistry |
| Canonical SMILES | S1SCSSCS1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DZKOKXZNCDGVRY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60.5 °C | CAS Common Chemistry |
| Name | Lenthionine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.3260000000000005 | RDKit |
| 3.326 | RDKit | |
| Molar Refractivity | 47.689000000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 187.891655128 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 = 188.39 g/mol. Edit any field — others recompute live.
