1-methylidenethiolane 1-oxide

C5H10OS — CID 58483106

IUPAC1-methylidenethiolane 1-oxide
SMILESC=S1(=O)CCCC1
InChIInChI=1S/C5H10OS/c1-7(6)4-2-3-5-7/h1-5H2
InChIKeyPGHUCOLOCDNUMQ-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.50
Rot. Bonds

About 1-methylidenethiolane 1-oxide

1-methylidenethiolane 1-oxide (PubChem CID 58483106) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-methylidenethiolane 1-oxide.

Molecular Properties

Compound Name1-methylidenethiolane 1-oxide
PubChem CID58483106
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name1-methylidenethiolane 1-oxide
SMILESC=S1(=O)CCCC1
InChIInChI=1S/C5H10OS/c1-7(6)4-2-3-5-7/h1-5H2
InChIKeyPGHUCOLOCDNUMQ-UHFFFAOYSA-N
XLogP0.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methylidenethiolane 1-oxide?
The IUPAC name of 1-methylidenethiolane 1-oxide (CID 58483106) is 1-methylidenethiolane 1-oxide.
What is the SMILES notation for 1-methylidenethiolane 1-oxide?
The canonical SMILES for 1-methylidenethiolane 1-oxide is C=S1(=O)CCCC1.
What is the InChIKey of 1-methylidenethiolane 1-oxide?
The InChIKey is PGHUCOLOCDNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-7(6)4-2-3-5-7/h1-5H2.
What are the key properties of 1-methylidenethiolane 1-oxide?
1-methylidenethiolane 1-oxide has a molecular weight of 118.20 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidenethiolane 1-oxide is sourced from PubChem (CID 58483106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).