2-methylsulfanyl-2H-oxete

C4H6OS — CID 175974280

IUPAC2-methylsulfanyl-2H-oxete
SMILESCSC1C=CO1
InChIInChI=1S/C4H6OS/c1-6-4-2-3-5-4/h2-4H,1H3
InChIKeyPGBUTHMDOCNGFJ-UHFFFAOYSA-N
MW102.16 g/mol
LogP1.22
Rot. Bonds1

About 2-methylsulfanyl-2H-oxete

2-methylsulfanyl-2H-oxete (PubChem CID 175974280) has the molecular formula C4H6OS and a molecular weight of 102.16 g/mol. Its IUPAC name is 2-methylsulfanyl-2H-oxete.

Molecular Properties

Compound Name2-methylsulfanyl-2H-oxete
PubChem CID175974280
Molecular FormulaC4H6OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC Name2-methylsulfanyl-2H-oxete
SMILESCSC1C=CO1
InChIInChI=1S/C4H6OS/c1-6-4-2-3-5-4/h2-4H,1H3
InChIKeyPGBUTHMDOCNGFJ-UHFFFAOYSA-N
XLogP1.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2H-oxete?
The IUPAC name of 2-methylsulfanyl-2H-oxete (CID 175974280) is 2-methylsulfanyl-2H-oxete.
What is the SMILES notation for 2-methylsulfanyl-2H-oxete?
The canonical SMILES for 2-methylsulfanyl-2H-oxete is CSC1C=CO1.
What is the InChIKey of 2-methylsulfanyl-2H-oxete?
The InChIKey is PGBUTHMDOCNGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS/c1-6-4-2-3-5-4/h2-4H,1H3.
What are the key properties of 2-methylsulfanyl-2H-oxete?
2-methylsulfanyl-2H-oxete has a molecular weight of 102.16 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2H-oxete is sourced from PubChem (CID 175974280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).