(1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide

C6H8OS2 — CID 162909287

IUPAC(1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide
SMILESC=C[C@H]1CC=C[S@](=O)S1
InChIInChI=1S/C6H8OS2/c1-2-6-4-3-5-9(7)8-6/h2-3,5-6H,1,4H2/t6-,9+/m0/s1
InChIKeyIWDPMNNWJRZOQX-IMTBSYHQSA-N
MW160.26 g/mol
LogP1.86
Rot. Bonds1

About (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide

(1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide (PubChem CID 162909287) has the molecular formula C6H8OS2 and a molecular weight of 160.26 g/mol. Its IUPAC name is (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide.

Molecular Properties

Compound Name(1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide
PubChem CID162909287
Molecular FormulaC6H8OS2
Molecular Weight160.26 g/mol
Exact Mass160.00
IUPAC Name(1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide
SMILESC=C[C@H]1CC=C[S@](=O)S1
InChIInChI=1S/C6H8OS2/c1-2-6-4-3-5-9(7)8-6/h2-3,5-6H,1,4H2/t6-,9+/m0/s1
InChIKeyIWDPMNNWJRZOQX-IMTBSYHQSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide?
The IUPAC name of (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide (CID 162909287) is (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide.
What is the SMILES notation for (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide?
The canonical SMILES for (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide is C=C[C@H]1CC=C[S@](=O)S1.
What is the InChIKey of (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide?
The InChIKey is IWDPMNNWJRZOQX-IMTBSYHQSA-N. The full InChI is InChI=1S/C6H8OS2/c1-2-6-4-3-5-9(7)8-6/h2-3,5-6H,1,4H2/t6-,9+/m0/s1.
What are the key properties of (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide?
(1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide has a molecular weight of 160.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide is sourced from PubChem (CID 162909287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).