1-methylidenethiolane

C5H10S — CID 15819663

IUPAC1-methylidenethiolane
SMILESC=S1CCCC1
InChIInChI=1S/C5H10S/c1-6-4-2-3-5-6/h1-5H2
InChIKeyQEVUTERUDQIOOH-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.48
Rot. Bonds

About 1-methylidenethiolane

1-methylidenethiolane (PubChem CID 15819663) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 1-methylidenethiolane.

Molecular Properties

Compound Name1-methylidenethiolane
PubChem CID15819663
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name1-methylidenethiolane
SMILESC=S1CCCC1
InChIInChI=1S/C5H10S/c1-6-4-2-3-5-6/h1-5H2
InChIKeyQEVUTERUDQIOOH-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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?
The IUPAC name of 1-methylidenethiolane (CID 15819663) is 1-methylidenethiolane.
What is the SMILES notation for 1-methylidenethiolane?
The canonical SMILES for 1-methylidenethiolane is C=S1CCCC1.
What is the InChIKey of 1-methylidenethiolane?
The InChIKey is QEVUTERUDQIOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-6-4-2-3-5-6/h1-5H2.
What are the key properties of 1-methylidenethiolane?
1-methylidenethiolane has a molecular weight of 102.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidenethiolane is sourced from PubChem (CID 15819663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).