4-methylidenethiolane-2-thione

C5H6S2 — CID 59903341

IUPAC4-methylidenethiolane-2-thione
SMILESC=C1CSC(=S)C1
InChIInChI=1S/C5H6S2/c1-4-2-5(6)7-3-4/h1-3H2
InChIKeyCEAFYRLYWXWWMP-UHFFFAOYSA-N
MW130.24 g/mol
LogP2.01
Rot. Bonds

About 4-methylidenethiolane-2-thione

4-methylidenethiolane-2-thione (PubChem CID 59903341) has the molecular formula C5H6S2 and a molecular weight of 130.24 g/mol. Its IUPAC name is 4-methylidenethiolane-2-thione.

Molecular Properties

Compound Name4-methylidenethiolane-2-thione
PubChem CID59903341
Molecular FormulaC5H6S2
Molecular Weight130.24 g/mol
Exact Mass129.99
IUPAC Name4-methylidenethiolane-2-thione
SMILESC=C1CSC(=S)C1
InChIInChI=1S/C5H6S2/c1-4-2-5(6)7-3-4/h1-3H2
InChIKeyCEAFYRLYWXWWMP-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidenethiolane-2-thione?
The IUPAC name of 4-methylidenethiolane-2-thione (CID 59903341) is 4-methylidenethiolane-2-thione.
What is the SMILES notation for 4-methylidenethiolane-2-thione?
The canonical SMILES for 4-methylidenethiolane-2-thione is C=C1CSC(=S)C1.
What is the InChIKey of 4-methylidenethiolane-2-thione?
The InChIKey is CEAFYRLYWXWWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S2/c1-4-2-5(6)7-3-4/h1-3H2.
What are the key properties of 4-methylidenethiolane-2-thione?
4-methylidenethiolane-2-thione has a molecular weight of 130.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenethiolane-2-thione is sourced from PubChem (CID 59903341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).