3,4-Epoxytetrahydrothiophene-1,1-dioxide

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Product Information

Molecular Formula:
C4H6O3S
Molecular Weight:
134.15
Description
Used to prepare sulfolene derivatives and acyclic polyenes used in natural product synthesis. For a synthesis, see Tetrahedron Lett.
Synonyms
6-oxa-3lambda6-thiabicyclo[3.1.0]hexane 3,3-dioxide
IUPAC Name
6-oxa-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
Canonical SMILES
C1C2C(O2)CS1(=O)=O
InChI
InChI=1S/C4H6O3S/c5-8(6)1-3-4(2-8)7-3/h3-4H,1-2H2
InChI Key
SZAIAWVGWTXVMB-UHFFFAOYSA-N
Boiling Point
379.2 °C at 760 mmHg
Melting Point
145-150 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.576 g/cm3
Appearance
White to brown powder
LogP
0.26300

Safety Information

Hazards
H302 + H312 + H332 - H315 - H319 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
-0.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
134.00376522 g/mol
Monoisotopic Mass
134.00376522 g/mol
Topological Polar Surface Area
55Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
184
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Calculate
The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

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