2H-Thiopyran,tetrahydro-, 1-oxide supplier

Name
Pentamethylene
EINECS
CAS No. 4988-34-5
Article Data2
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 67.0-68.2 °C
Formula C₅H₁₀OS
Boiling Point 277 °C at 760 mmHg
Molecular Weight 118.2
Flash Point 121.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiane 1-oxide;
PSA 0.00000
LogP 1.82490

2H-Thiopyran,tetrahydro-, 1-oxide Specification

The 2H-Thiopyran,tetrahydro-, 1-oxide, with the CAS registry number of 4988-34-5, is also known as Thiane 1-oxide. Its molecular formula is C₅H₁₀OS and molecular weight is 118.1973. What's more, its systematic name is Tetrahydro-2H-thiopyran 1-oxide.

Physical properties about the 2H-Thiopyran,tetrahydro-, 1-oxide are: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.51; (8)ACD/KOC (pH 7.4): 14.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.28 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 32.02 cm³; (15)Molar Volume: 102.9 cm³; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.14 g/cm³; (18)Flash Point: 121.4 °C; (19)Enthalpy of Vaporization: 49.49 kJ/mol; (20)Boiling Point: 277 °C at 760 mmHg; (21)Vapour Pressure: 0.00781 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S1CCCCC1
(2) InChI: InChI=1/C5H10OS/c6-7-4-2-1-3-5-7/h1-5H2
(3) InChIKey: NNLBRYQGMOYARS-UHFFFAOYAF

Product Name

Pentamethylene

2H-Thiopyran,tetrahydro-, 1-oxide Specification

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