2-methylpropanedithial

C4H6S2 — CID 88619350

IUPAC2-methylpropanedithial
SMILESCC(C=S)C=S
InChIInChI=1S/C4H6S2/c1-4(2-5)3-6/h2-4H,1H3
InChIKeyALDBJKLIQVTWMS-UHFFFAOYSA-N
MW118.23 g/mol
LogP1.62
Rot. Bonds2

About 2-methylpropanedithial

2-methylpropanedithial (PubChem CID 88619350) has the molecular formula C4H6S2 and a molecular weight of 118.23 g/mol. Its IUPAC name is 2-methylpropanedithial.

Molecular Properties

Compound Name2-methylpropanedithial
PubChem CID88619350
Molecular FormulaC4H6S2
Molecular Weight118.23 g/mol
Exact Mass117.99
IUPAC Name2-methylpropanedithial
SMILESCC(C=S)C=S
InChIInChI=1S/C4H6S2/c1-4(2-5)3-6/h2-4H,1H3
InChIKeyALDBJKLIQVTWMS-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanedithial?
The IUPAC name of 2-methylpropanedithial (CID 88619350) is 2-methylpropanedithial.
What is the SMILES notation for 2-methylpropanedithial?
The canonical SMILES for 2-methylpropanedithial is CC(C=S)C=S.
What is the InChIKey of 2-methylpropanedithial?
The InChIKey is ALDBJKLIQVTWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S2/c1-4(2-5)3-6/h2-4H,1H3.
What are the key properties of 2-methylpropanedithial?
2-methylpropanedithial has a molecular weight of 118.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanedithial is sourced from PubChem (CID 88619350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).