Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Thietan-3-one |
EINECS | N/A |
CAS No. | 22131-92-6 | Density | 1.316 g/cm3 |
PSA | 42.37000 | LogP | 0.30230 |
Solubility | N/A | Melting Point |
62-63 °C(Solv: ligroine (8032-32-4)) |
Formula | C3H4OS | Boiling Point | 126.7 °C at 760 mmHg |
Molecular Weight | 88.1302 | Flash Point | 41.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
LogP |
Article Data | 6 |
The 3-Thietanone has CAS registry number 22131-92-6. This chemical's molecular formula is C3H4OS and molecular weight is 88.12826. What's more, its systematic name is Thietan-3-one.
Physical properties about the 3-Thietanone are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.15; (5)ACD/KOC (pH 7.4): 10.15; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 42.37 Å2; (10)Index of Refraction: 1.575; (11)Molar Refractivity: 22.12 cm3; (12)Molar Volume: 66.9 cm3; (13)Surface Tension: 50 dyne/cm; (14)Density: 1.316 g/cm3; (15)Flash Point: 41.9 °C; (16)Enthalpy of Vaporization: 36.45 kJ/mol; (17)Boiling Point: 126.7 °C at 760 mmHg; (18)Vapour Pressure: 11.5 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CSC1
(2) InChI: InChI=1/C3H4OS/c4-3-1-5-2-3/h1-2H2
(3) InChIKey: DQOHDRDDPZNSQI-UHFFFAOYAO