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Basic Information
CAS No.: 3334-05-2
Name: TETRAHYDRO-THIOPHEN-3-OL
Molecular Structure:
Molecular Structure of 3334-05-2 (TETRAHYDRO-THIOPHEN-3-OL)
Formula: C4H8OS
Molecular Weight: 104.173
Synonyms: Thiophene-3-ol,tetrahydro-, (?à)-;3-Hydroxythiophane;NSC 241152;Tetrahydrothiophen-3-ol;Tetrahydrothiophene-3-ol;Thiacyclopentan-3-ol;
Density: 1.222g/cm3
Boiling Point: 201.2 °C at 760 mmHg
Flash Point: 98.7 °C
PSA: 45.53000
LogP: 0.48420
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Specification

The Thiophene-3-ol,tetrahydro-, with CAS registry number 3334-05-2, has the systematic name of tetrahydrothiophene-3-ol. Besides this, it is also called 3-thiopheneol, tetrahydro-. Its molecular weight is 104.17. And the chemical formula of this chemical is C4H8OS.

Physical properties of Thiophene-3-ol,tetrahydro-: (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: 34.53 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 28.19 cm3; (9)Molar Volume: 85.1 cm3; (10)Polarizability: 11.17×10-24cm3; (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
(4)Std. InChI: InChI=1S/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2
(5)Std. InChIKey: BJYXNFYVCZIXQC-UHFFFAOYSA-N