(1R,3R)-1,3-dithiane 1,3-dioxide

C4H8O2S2 — CID 10855665

IUPAC(1R,3R)-1,3-dithiane 1,3-dioxide
SMILESO=[S@@]1CCC[S@@](=O)C1
InChIInChI=1S/C4H8O2S2/c5-7-2-1-3-8(6)4-7/h1-4H2/t7-,8-/m1/s1
InChIKeyGAGUHQWNDGBDCG-HTQZYQBOSA-N
MW152.24 g/mol
LogP-0.16
Rot. Bonds

About (1R,3R)-1,3-dithiane 1,3-dioxide

(1R,3R)-1,3-dithiane 1,3-dioxide (PubChem CID 10855665) has the molecular formula C4H8O2S2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,3R)-1,3-dithiane 1,3-dioxide.

Molecular Properties

Compound Name(1R,3R)-1,3-dithiane 1,3-dioxide
PubChem CID10855665
Molecular FormulaC4H8O2S2
Molecular Weight152.24 g/mol
Exact Mass152.00
IUPAC Name(1R,3R)-1,3-dithiane 1,3-dioxide
SMILESO=[S@@]1CCC[S@@](=O)C1
InChIInChI=1S/C4H8O2S2/c5-7-2-1-3-8(6)4-7/h1-4H2/t7-,8-/m1/s1
InChIKeyGAGUHQWNDGBDCG-HTQZYQBOSA-N
XLogP-0.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dithiane, 1,1,3,3-tetraoxide
CID 117794
1,3-Dithiane-1-oxide
CID 27890
1,3-Dithiane, 1,3-dioxide
CID 4460387
2-Methyl-1lambda~4~,3-dithian-1-one
CID 27883
1,3-Dithiane, 1,1-dioxide
CID 11744825
2,2-Dimethyl-1,3-dithiane-1-oxide
CID 535129
2,4,6-Trimethyl-(1,3,5)trithiane 1,3,5-trioxide
CID 241688
r-1,3-Dithiane 1-oxide
CID 9574111
1,3-Dithiane 1,1,3-trioxide
CID 20313873
2-Methylidene-1,3-dithiane 1,3-dioxide
CID 139253732
2,4,6-Trimethyl-1,3-dithiane 1-oxide
CID 494306
(2R,4R,6S)-2,4,6-trimethyl-1,3-dithiane 1-oxide
CID 342253

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1,3-dithiane 1,3-dioxide?
The IUPAC name of (1R,3R)-1,3-dithiane 1,3-dioxide (CID 10855665) is (1R,3R)-1,3-dithiane 1,3-dioxide.
What is the SMILES notation for (1R,3R)-1,3-dithiane 1,3-dioxide?
The canonical SMILES for (1R,3R)-1,3-dithiane 1,3-dioxide is O=[S@@]1CCC[S@@](=O)C1.
What is the InChIKey of (1R,3R)-1,3-dithiane 1,3-dioxide?
The InChIKey is GAGUHQWNDGBDCG-HTQZYQBOSA-N. The full InChI is InChI=1S/C4H8O2S2/c5-7-2-1-3-8(6)4-7/h1-4H2/t7-,8-/m1/s1.
What are the key properties of (1R,3R)-1,3-dithiane 1,3-dioxide?
(1R,3R)-1,3-dithiane 1,3-dioxide has a molecular weight of 152.24 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1,3-dithiane 1,3-dioxide is sourced from PubChem (CID 10855665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).