4-methylpentane-2,2,3,3-tetrathiol

C6H14S4 — CID 135254377

IUPAC4-methylpentane-2,2,3,3-tetrathiol
SMILESCC(C)C(S)(S)C(C)(S)S
InChIInChI=1S/C6H14S4/c1-4(2)6(9,10)5(3,7)8/h4,7-10H,1-3H3
InChIKeyZSJCKDCEPNLLTD-UHFFFAOYSA-N
MW214.45 g/mol
LogP2.77
Rot. Bonds2

About 4-methylpentane-2,2,3,3-tetrathiol

4-methylpentane-2,2,3,3-tetrathiol (PubChem CID 135254377) has the molecular formula C6H14S4 and a molecular weight of 214.45 g/mol. Its IUPAC name is 4-methylpentane-2,2,3,3-tetrathiol.

Molecular Properties

Compound Name4-methylpentane-2,2,3,3-tetrathiol
PubChem CID135254377
Molecular FormulaC6H14S4
Molecular Weight214.45 g/mol
Exact Mass214.00
IUPAC Name4-methylpentane-2,2,3,3-tetrathiol
SMILESCC(C)C(S)(S)C(C)(S)S
InChIInChI=1S/C6H14S4/c1-4(2)6(9,10)5(3,7)8/h4,7-10H,1-3H3
InChIKeyZSJCKDCEPNLLTD-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.45
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentane-2,2,3,3-tetrathiol?
The IUPAC name of 4-methylpentane-2,2,3,3-tetrathiol (CID 135254377) is 4-methylpentane-2,2,3,3-tetrathiol.
What is the SMILES notation for 4-methylpentane-2,2,3,3-tetrathiol?
The canonical SMILES for 4-methylpentane-2,2,3,3-tetrathiol is CC(C)C(S)(S)C(C)(S)S.
What is the InChIKey of 4-methylpentane-2,2,3,3-tetrathiol?
The InChIKey is ZSJCKDCEPNLLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S4/c1-4(2)6(9,10)5(3,7)8/h4,7-10H,1-3H3.
What are the key properties of 4-methylpentane-2,2,3,3-tetrathiol?
4-methylpentane-2,2,3,3-tetrathiol has a molecular weight of 214.45 g/mol, XLogP of 2.77, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentane-2,2,3,3-tetrathiol is sourced from PubChem (CID 135254377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).