-
Name
3-Hydroxytetrahydrothiophene
- EINECS 1533716-785-6
- CAS No. 79107-71-4
- Article Data34
- CAS DataBase
- Density 1.222 g/cm3
- Solubility
- Melting Point
- Formula C4H8OS
- Boiling Point 201.2 °C at 760 mmHg
- Molecular Weight 104.173
- Flash Point 98.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Thiacyclopentane-3-ol;
- PSA 45.53000
- LogP 0.48420
3-Hydroxytetrahydrothiophene Specification
The 3-Hydroxytetrahydrothiophene, with the CAS registry number 79107-71-4, is also known as Thiacyclopentane-3-ol. This chemical's molecular formula is C4H8OS and molecular weight is 104.1707. What's more, its systematic name is called Tetrahydrothiophene-3-ol.
Physical properties about 3-Hydroxytetrahydrothiophene are: (1)ACD/LogP: -0.04; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 34.53Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 28.19 cm3; (9)Molar Volume: 85.1 cm3; (10)Polarizability: 11.17×10-24 cm3; (11)Surface Tension: 46.4 dyne/cm; (12)Density: 1.222 g/cm3; (13)Flash Point: 98.7 °C; (14)Enthalpy of Vaporization: 50.89 kJ/mol; (15)Boiling Point: 201.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0771 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC1CCSC1
(2) InChI: InChI=1/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2
(3) InChIKey: BJYXNFYVCZIXQC-UHFFFAOYAJ
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