4-methyloxane-2-thione

C6H10OS — CID 14107392

IUPAC4-methyloxane-2-thione
SMILESCC1CCOC(=S)C1
InChIInChI=1S/C6H10OS/c1-5-2-3-7-6(8)4-5/h5H,2-4H2,1H3
InChIKeySILGSGQOBCMLPO-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.76
Rot. Bonds

About 4-methyloxane-2-thione

4-methyloxane-2-thione (PubChem CID 14107392) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-methyloxane-2-thione.

Molecular Properties

Compound Name4-methyloxane-2-thione
PubChem CID14107392
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-methyloxane-2-thione
SMILESCC1CCOC(=S)C1
InChIInChI=1S/C6H10OS/c1-5-2-3-7-6(8)4-5/h5H,2-4H2,1H3
InChIKeySILGSGQOBCMLPO-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyloxane-2-thione?
The IUPAC name of 4-methyloxane-2-thione (CID 14107392) is 4-methyloxane-2-thione.
What is the SMILES notation for 4-methyloxane-2-thione?
The canonical SMILES for 4-methyloxane-2-thione is CC1CCOC(=S)C1.
What is the InChIKey of 4-methyloxane-2-thione?
The InChIKey is SILGSGQOBCMLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-2-3-7-6(8)4-5/h5H,2-4H2,1H3.
What are the key properties of 4-methyloxane-2-thione?
4-methyloxane-2-thione has a molecular weight of 130.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxane-2-thione is sourced from PubChem (CID 14107392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).