2-methylpropanebis(dithioic acid)

C4H6S4 — CID 141228798

IUPAC2-methylpropanebis(dithioic acid)
SMILESCC(C(=S)S)C(=S)S
InChIInChI=1S/C4H6S4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChIKeyZAPSTLJLWQCIJS-UHFFFAOYSA-N
MW182.36 g/mol
LogP2.14
Rot. Bonds2

About 2-methylpropanebis(dithioic acid)

2-methylpropanebis(dithioic acid) (PubChem CID 141228798) has the molecular formula C4H6S4 and a molecular weight of 182.36 g/mol. Its IUPAC name is 2-methylpropanebis(dithioic acid).

Molecular Properties

Compound Name2-methylpropanebis(dithioic acid)
PubChem CID141228798
Molecular FormulaC4H6S4
Molecular Weight182.36 g/mol
Exact Mass181.94
IUPAC Name2-methylpropanebis(dithioic acid)
SMILESCC(C(=S)S)C(=S)S
InChIInChI=1S/C4H6S4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChIKeyZAPSTLJLWQCIJS-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanebis(dithioic acid)?
The IUPAC name of 2-methylpropanebis(dithioic acid) (CID 141228798) is 2-methylpropanebis(dithioic acid).
What is the SMILES notation for 2-methylpropanebis(dithioic acid)?
The canonical SMILES for 2-methylpropanebis(dithioic acid) is CC(C(=S)S)C(=S)S.
What is the InChIKey of 2-methylpropanebis(dithioic acid)?
The InChIKey is ZAPSTLJLWQCIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8).
What are the key properties of 2-methylpropanebis(dithioic acid)?
2-methylpropanebis(dithioic acid) has a molecular weight of 182.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanebis(dithioic acid) is sourced from PubChem (CID 141228798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).