- InChI
- InChI=1S/C4H4S2/c5-4-1-2-6-3-4/h1-3,5H
- InChI Key
- VSGXHZUTTFLSBC-UHFFFAOYSA-N
- Formula
- C4H4S2
- SMILES
- Sc1ccsc1
- Molecular Weight1
- 116.20
- CAS
- 7774-73-4
- Other Names
-
- 2-Thienyl mercaptan
- 3-Thienyl hydrosulfide
- 3-Thienyl mercaptan
- Thiophen-3-thiol
- Thiophene-3-thiol
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.74 | Crippen Calculated Property | |
| logPoct/wat | 2.037 | Crippen Calculated Property | |
| McVol | 80.460 | ml/mol | McGowan Calculated Property |
| Inp | [940.00; 988.00] |
|
|
| Inp | 965.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 954.00 | NIST | |
| I | [1547.00; 1581.00] |
|
|
| I | 1555.00 | NIST | |
| I | 1581.00 | NIST | |
| I | 1547.00 | NIST | |
| I | 1547.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Thiophenethiol.
Sources
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