3-methylidenedithiole

C4H4S2 — CID 22731659

IUPAC3-methylidenedithiole
SMILESC=C1C=CSS1
InChIInChI=1S/C4H4S2/c1-4-2-3-5-6-4/h2-3H,1H2
InChIKeyUFENVNABCRWIRV-UHFFFAOYSA-N
MW116.21 g/mol
LogP2.41
Rot. Bonds

About 3-methylidenedithiole

3-methylidenedithiole (PubChem CID 22731659) has the molecular formula C4H4S2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 3-methylidenedithiole.

Molecular Properties

Compound Name3-methylidenedithiole
PubChem CID22731659
Molecular FormulaC4H4S2
Molecular Weight116.21 g/mol
Exact Mass115.98
IUPAC Name3-methylidenedithiole
SMILESC=C1C=CSS1
InChIInChI=1S/C4H4S2/c1-4-2-3-5-6-4/h2-3H,1H2
InChIKeyUFENVNABCRWIRV-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenedithiole?
The IUPAC name of 3-methylidenedithiole (CID 22731659) is 3-methylidenedithiole.
What is the SMILES notation for 3-methylidenedithiole?
The canonical SMILES for 3-methylidenedithiole is C=C1C=CSS1.
What is the InChIKey of 3-methylidenedithiole?
The InChIKey is UFENVNABCRWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S2/c1-4-2-3-5-6-4/h2-3H,1H2.
What are the key properties of 3-methylidenedithiole?
3-methylidenedithiole has a molecular weight of 116.21 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenedithiole is sourced from PubChem (CID 22731659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).