(1R)-2,2-dimethyl-1,3-dithiolane 1-oxide

C5H10OS2 — CID 134925934

IUPAC(1R)-2,2-dimethyl-1,3-dithiolane 1-oxide
SMILESCC1(C)SCC[S@]1=O
InChIInChI=1S/C5H10OS2/c1-5(2)7-3-4-8(5)6/h3-4H2,1-2H3/t8-/m1/s1
InChIKeyOJLKHLFMVXNPCA-MRVPVSSYSA-N
MW150.27 g/mol
LogP1.22
Rot. Bonds

About (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide

(1R)-2,2-dimethyl-1,3-dithiolane 1-oxide (PubChem CID 134925934) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1,3-dithiolane 1-oxide
PubChem CID134925934
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name(1R)-2,2-dimethyl-1,3-dithiolane 1-oxide
SMILESCC1(C)SCC[S@]1=O
InChIInChI=1S/C5H10OS2/c1-5(2)7-3-4-8(5)6/h3-4H2,1-2H3/t8-/m1/s1
InChIKeyOJLKHLFMVXNPCA-MRVPVSSYSA-N
XLogP1.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide?
The IUPAC name of (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide (CID 134925934) is (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide.
What is the SMILES notation for (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide?
The canonical SMILES for (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide is CC1(C)SCC[S@]1=O.
What is the InChIKey of (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide?
The InChIKey is OJLKHLFMVXNPCA-MRVPVSSYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-5(2)7-3-4-8(5)6/h3-4H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide?
(1R)-2,2-dimethyl-1,3-dithiolane 1-oxide has a molecular weight of 150.27 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1,3-dithiolane 1-oxide is sourced from PubChem (CID 134925934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).