(2R)-2-methylsulfanyloxane

C6H12OS — CID 135022400

IUPAC(2R)-2-methylsulfanyloxane
SMILESCS[C@@H]1CCCCO1
InChIInChI=1S/C6H12OS/c1-8-6-4-2-3-5-7-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyAGVXVNUUQRAKNA-ZCFIWIBFSA-N
MW132.23 g/mol
LogP1.88
Rot. Bonds1

About (2R)-2-methylsulfanyloxane

(2R)-2-methylsulfanyloxane (PubChem CID 135022400) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2R)-2-methylsulfanyloxane.

Molecular Properties

Compound Name(2R)-2-methylsulfanyloxane
PubChem CID135022400
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2R)-2-methylsulfanyloxane
SMILESCS[C@@H]1CCCCO1
InChIInChI=1S/C6H12OS/c1-8-6-4-2-3-5-7-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyAGVXVNUUQRAKNA-ZCFIWIBFSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-2-Methyl-4-propyl-1,3-oxathiane
CID 101010
2-Methyl-4-propyl-1,3-oxathiane, trans-
CID 6931726
2-Pentyl-4-propyl-1,3-oxathiane
CID 20514321
(2R,4S)-2-methyl-4-propyl-1,3-oxathiane
CID 6931725
2-Methyl-1,3-oxathiane
CID 542685
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
CID 6931728
4,6-Dimethyl-1,3-oxathiane
CID 140927
(r,s)-2-Methylsulfanyl-tetrahydro-pyran
CID 58779848
4-(Methylsulfanyl)oxane
CID 54181372
Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester
CID 538219
2-Ethylsulfanyloxane
CID 543742
2H-Pyran, tetrahydro-2-(methylthio)-
CID 558906

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyloxane?
The IUPAC name of (2R)-2-methylsulfanyloxane (CID 135022400) is (2R)-2-methylsulfanyloxane.
What is the SMILES notation for (2R)-2-methylsulfanyloxane?
The canonical SMILES for (2R)-2-methylsulfanyloxane is CS[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-methylsulfanyloxane?
The InChIKey is AGVXVNUUQRAKNA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12OS/c1-8-6-4-2-3-5-7-6/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methylsulfanyloxane?
(2R)-2-methylsulfanyloxane has a molecular weight of 132.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyloxane is sourced from PubChem (CID 135022400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).