3-methyloxathiane

C5H10OS — CID 67151933

IUPAC3-methyloxathiane
SMILESCC1CCCOS1
InChIInChI=1S/C5H10OS/c1-5-3-2-4-6-7-5/h5H,2-4H2,1H3
InChIKeyQGEXIQVTGRWRBZ-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.83
Rot. Bonds

About 3-methyloxathiane

3-methyloxathiane (PubChem CID 67151933) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-methyloxathiane.

Molecular Properties

Compound Name3-methyloxathiane
PubChem CID67151933
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name3-methyloxathiane
SMILESCC1CCCOS1
InChIInChI=1S/C5H10OS/c1-5-3-2-4-6-7-5/h5H,2-4H2,1H3
InChIKeyQGEXIQVTGRWRBZ-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxathian-3-ylmethanamine
CID 171823832
(3R)-2,3,4-trimethyloxepane
CID 144648748
2-bromo-6-methylthiane
CID 174422605
(2S,3R)-2,3-dimethyloxane
CID 121479351
5-methyl-2-(oxolan-2-yl)-1,3-thiazolidine
CID 82837923
2,2-dimethoxy-3-methyloxane
CID 158123944
3-methyloxazinane
CID 12730633
1,3,2-dioxathiepane
CID 89312218
oxathian-3-yl(thiophen-3-yl)methanol
CID 156762536
cyclohexane;4-methyloxane
CID 144563977
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
ethane;formaldehyde;2-methyloxolane
CID 145378358

Frequently Asked Questions

What is the IUPAC name of 3-methyloxathiane?
The IUPAC name of 3-methyloxathiane (CID 67151933) is 3-methyloxathiane.
What is the SMILES notation for 3-methyloxathiane?
The canonical SMILES for 3-methyloxathiane is CC1CCCOS1.
What is the InChIKey of 3-methyloxathiane?
The InChIKey is QGEXIQVTGRWRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5-3-2-4-6-7-5/h5H,2-4H2,1H3.
What are the key properties of 3-methyloxathiane?
3-methyloxathiane has a molecular weight of 118.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxathiane is sourced from PubChem (CID 67151933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).