(2R,3R)-2,3-dimethyl-1,4-oxathiane

C6H12OS — CID 13291412

IUPAC(2R,3R)-2,3-dimethyl-1,4-oxathiane
SMILESC[C@H]1OCCS[C@@H]1C
InChIInChI=1S/C6H12OS/c1-5-6(2)8-4-3-7-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyLSFIFFPRNCVREA-PHDIDXHHSA-N
MW132.23 g/mol
LogP1.53
Rot. Bonds

About (2R,3R)-2,3-dimethyl-1,4-oxathiane

(2R,3R)-2,3-dimethyl-1,4-oxathiane (PubChem CID 13291412) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-1,4-oxathiane.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-1,4-oxathiane
PubChem CID13291412
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2R,3R)-2,3-dimethyl-1,4-oxathiane
SMILESC[C@H]1OCCS[C@@H]1C
InChIInChI=1S/C6H12OS/c1-5-6(2)8-4-3-7-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyLSFIFFPRNCVREA-PHDIDXHHSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
(3R)-3-[(2S,3S)-2-methyl-1,4-oxathian-3-yl]butanoic acid
CID 159953153
2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14814457
(2R)-2,3-dimethylthiolane
CID 170182644
(2R,3S)-3-chloro-2-methyloxolane
CID 13296748
(2S,3R)-2,3-dimethyloxane
CID 121479351
(3R)-2-methyloxolan-3-ol
CID 89032581
1,4-oxathiane-2-thiol
CID 57449077
1,3-oxathiolan-2-ylmethanamine
CID 14525905
2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
CID 79956591
N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 82729287
(3aR,4S,7aS)-3,4,7a-trimethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazole
CID 70313279

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethyl-1,4-oxathiane?
The IUPAC name of (2R,3R)-2,3-dimethyl-1,4-oxathiane (CID 13291412) is (2R,3R)-2,3-dimethyl-1,4-oxathiane.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-1,4-oxathiane?
The canonical SMILES for (2R,3R)-2,3-dimethyl-1,4-oxathiane is C[C@H]1OCCS[C@@H]1C.
What is the InChIKey of (2R,3R)-2,3-dimethyl-1,4-oxathiane?
The InChIKey is LSFIFFPRNCVREA-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12OS/c1-5-6(2)8-4-3-7-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethyl-1,4-oxathiane?
(2R,3R)-2,3-dimethyl-1,4-oxathiane has a molecular weight of 132.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyl-1,4-oxathiane is sourced from PubChem (CID 13291412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).