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Molecule
Cyclopentanethiol
CAS: 1679-07-8 · C5H10S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1679-07-8
- Molecular Formula
- C5H10S
- Molecular Mass
- 102.20 g/mol
Identifiers
CAS Registry Number
1679-07-8
SMILES
SC1CCCC1
InChI Key
WVDYBOADDMMFIY-UHFFFAOYSA-N
InChI
InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
Names and Synonyms
- Cyclopentanethiol Common Name
- Cyclopentanethiol Synonym
- Cyclopentyl mercaptan Synonym
- Mercaptocyclopentane Synonym
- Cyclopentylthiol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.20 g/mol | CAS Common Chemistry |
| 102.20200000000001 g/mol | RDKit | |
| 102.202 g/mol | RDKit | |
| 102.195 g/mol | chempirical lib | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9485 g/cm3 @ 420 °C | CAS Common Chemistry | |
| Boiling Point | 132.1 °C | CAS Common Chemistry |
| Canonical SMILES | SC1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WVDYBOADDMMFIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopentanethiol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.8587999999999998 | RDKit |
| 1.8588 | RDKit | |
| Molar Refractivity | 31.241999999999987 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 102.05032132 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
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MW = 102.20 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10S.
