pentane-1,2,3,5-tetrathiol

C5H12S4 — CID 56610905

IUPACpentane-1,2,3,5-tetrathiol
SMILESSCCC(S)C(S)CS
InChIInChI=1S/C5H12S4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2
InChIKeySBUQQVVSWGFVAB-UHFFFAOYSA-N
MW200.42 g/mol
LogP1.83
Rot. Bonds4

About pentane-1,2,3,5-tetrathiol

pentane-1,2,3,5-tetrathiol (PubChem CID 56610905) has the molecular formula C5H12S4 and a molecular weight of 200.42 g/mol. Its IUPAC name is pentane-1,2,3,5-tetrathiol.

Molecular Properties

Compound Namepentane-1,2,3,5-tetrathiol
PubChem CID56610905
Molecular FormulaC5H12S4
Molecular Weight200.42 g/mol
Exact Mass199.98
IUPAC Namepentane-1,2,3,5-tetrathiol
SMILESSCCC(S)C(S)CS
InChIInChI=1S/C5H12S4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2
InChIKeySBUQQVVSWGFVAB-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.42
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentane-1,2,3,5-tetrathiol?
The IUPAC name of pentane-1,2,3,5-tetrathiol (CID 56610905) is pentane-1,2,3,5-tetrathiol.
What is the SMILES notation for pentane-1,2,3,5-tetrathiol?
The canonical SMILES for pentane-1,2,3,5-tetrathiol is SCCC(S)C(S)CS.
What is the InChIKey of pentane-1,2,3,5-tetrathiol?
The InChIKey is SBUQQVVSWGFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2.
What are the key properties of pentane-1,2,3,5-tetrathiol?
pentane-1,2,3,5-tetrathiol has a molecular weight of 200.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,2,3,5-tetrathiol is sourced from PubChem (CID 56610905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).