2,4,5-trimethyl-1,3-oxathiole

C6H10OS — CID 13499633

IUPAC2,4,5-trimethyl-1,3-oxathiole
SMILESCC1=C(C)SC(C)O1
InChIInChI=1S/C6H10OS/c1-4-5(2)8-6(3)7-4/h6H,1-3H3
InChIKeyYYJWEOBSJSKHHU-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.35
Rot. Bonds

About 2,4,5-trimethyl-1,3-oxathiole

2,4,5-trimethyl-1,3-oxathiole (PubChem CID 13499633) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2,4,5-trimethyl-1,3-oxathiole.

Molecular Properties

Compound Name2,4,5-trimethyl-1,3-oxathiole
PubChem CID13499633
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2,4,5-trimethyl-1,3-oxathiole
SMILESCC1=C(C)SC(C)O1
InChIInChI=1S/C6H10OS/c1-4-5(2)8-6(3)7-4/h6H,1-3H3
InChIKeyYYJWEOBSJSKHHU-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyl-2,3-dihydro-1,4-oxathiine
CID 548058
6-(Fluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine
CID 90206326
5,6-Dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine
CID 20658718
2,3-dimethyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183651
(Z)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
CID 59893339
4,5-Dimethyl-1,3-oxathiole
CID 89084317
2,2,4,5-Tetramethyl-1,3-oxathiole
CID 89929220
2,5,6-Trimethyl-2,3-dihydro-1,4-oxathiine
CID 90397372
3,5,6-Trimethyl-2,3-dihydro-1,4-oxathiine
CID 90397374
(E)-2-propan-2-yloxy-3-propan-2-ylsulfanylbut-2-ene
CID 20622238
(E)-2-ethoxy-3-ethylsulfanylbut-2-ene
CID 21600410
(Z)-2-ethoxy-3-ethylsulfanylbut-2-ene
CID 21600411

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1,3-oxathiole?
The IUPAC name of 2,4,5-trimethyl-1,3-oxathiole (CID 13499633) is 2,4,5-trimethyl-1,3-oxathiole.
What is the SMILES notation for 2,4,5-trimethyl-1,3-oxathiole?
The canonical SMILES for 2,4,5-trimethyl-1,3-oxathiole is CC1=C(C)SC(C)O1.
What is the InChIKey of 2,4,5-trimethyl-1,3-oxathiole?
The InChIKey is YYJWEOBSJSKHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-4-5(2)8-6(3)7-4/h6H,1-3H3.
What are the key properties of 2,4,5-trimethyl-1,3-oxathiole?
2,4,5-trimethyl-1,3-oxathiole has a molecular weight of 130.21 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1,3-oxathiole is sourced from PubChem (CID 13499633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).