2-methylsulfanyl-1,3-oxathiolane

C4H8OS2 — CID 123635816

IUPAC2-methylsulfanyl-1,3-oxathiolane
SMILESCSC1OCCS1
InChIInChI=1S/C4H8OS2/c1-6-4-5-2-3-7-4/h4H,2-3H2,1H3
InChIKeyWPYZBAUKQMJKBL-UHFFFAOYSA-N
MW136.24 g/mol
LogP1.40
Rot. Bonds1

About 2-methylsulfanyl-1,3-oxathiolane

2-methylsulfanyl-1,3-oxathiolane (PubChem CID 123635816) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methylsulfanyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-methylsulfanyl-1,3-oxathiolane
PubChem CID123635816
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Name2-methylsulfanyl-1,3-oxathiolane
SMILESCSC1OCCS1
InChIInChI=1S/C4H8OS2/c1-6-4-5-2-3-7-4/h4H,2-3H2,1H3
InChIKeyWPYZBAUKQMJKBL-UHFFFAOYSA-N
XLogP1.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,3-oxathiolane?
The IUPAC name of 2-methylsulfanyl-1,3-oxathiolane (CID 123635816) is 2-methylsulfanyl-1,3-oxathiolane.
What is the SMILES notation for 2-methylsulfanyl-1,3-oxathiolane?
The canonical SMILES for 2-methylsulfanyl-1,3-oxathiolane is CSC1OCCS1.
What is the InChIKey of 2-methylsulfanyl-1,3-oxathiolane?
The InChIKey is WPYZBAUKQMJKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS2/c1-6-4-5-2-3-7-4/h4H,2-3H2,1H3.
What are the key properties of 2-methylsulfanyl-1,3-oxathiolane?
2-methylsulfanyl-1,3-oxathiolane has a molecular weight of 136.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,3-oxathiolane is sourced from PubChem (CID 123635816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).