Tetrahydrothiophen-3-one
CAS No.:
1003-04-9
M. Wt:
102.155
M. Fa:
C4H6OS
InChI Key:
DSXFPRKPFJRPIB-UHFFFAOYSA-N
Appearance:
Yellow Liquid
Names and Identifiers of Tetrahydrothiophen-3-one
CAS Number |
1003-04-9 |
|---|---|
EC Number |
213-698-9 |
MDL Number |
MFCD00005412 |
IUPAC Name |
thiolan-3-one |
InChI |
InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2 |
InChIKey |
DSXFPRKPFJRPIB-UHFFFAOYSA-N |
Canonical SMILES |
C1CSCC1=O |
UNII |
0E9MKH53DV |
UNSPSC Code |
12352100 |
Physical and chemical properties of Tetrahydrothiophen-3-one
Boiling Point |
175.00 °C. @ 760.00 mm Hg |
|---|---|
BRN |
105201 |
Density |
1.194-1.199 (20°) |
Exact Mass |
102.013931 |
Flash Point |
77.2±0.0 °C |
Index of Refraction |
1.527-1.531 |
LogP |
0.222 (est) |
Molecular Formula |
C4H6OS |
Molecular Weight |
102.155 |
PSA |
42.37000 |
Solubility |
1.924e+005 mg/L @ 25 °C (est) |
Storage condition |
2-8°C |
Vapour density |
>1 (vs air) |
Vapour Pressure |
1.2±0.3 mmHg at 25°C |
Safety Information of Tetrahydrothiophen-3-one
Interaction Studies of Tetrahydrothiophen-3-one
Limited studies have been conducted on the interaction profile of tetrahydrothiophen-3-one with biological systems. Its irritative properties necessitate caution during handling; it can cause irritation to the skin, eyes, and respiratory system upon exposure. Further research may be needed to explore its interactions at the molecular level.
Physical sample testing spectrum (NMR) of Tetrahydrothiophen-3-one
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