hexane-1,3,4,6-tetrathiol

C6H14S4 — CID 57180046

IUPAChexane-1,3,4,6-tetrathiol
SMILESSCCC(S)C(S)CCS
InChIInChI=1S/C6H14S4/c7-3-1-5(9)6(10)2-4-8/h5-10H,1-4H2
InChIKeyOTBCNPBQVAYHHC-UHFFFAOYSA-N
MW214.45 g/mol
LogP2.22
Rot. Bonds5

About hexane-1,3,4,6-tetrathiol

hexane-1,3,4,6-tetrathiol (PubChem CID 57180046) has the molecular formula C6H14S4 and a molecular weight of 214.45 g/mol. Its IUPAC name is hexane-1,3,4,6-tetrathiol.

Molecular Properties

Compound Namehexane-1,3,4,6-tetrathiol
PubChem CID57180046
Molecular FormulaC6H14S4
Molecular Weight214.45 g/mol
Exact Mass214.00
IUPAC Namehexane-1,3,4,6-tetrathiol
SMILESSCCC(S)C(S)CCS
InChIInChI=1S/C6H14S4/c7-3-1-5(9)6(10)2-4-8/h5-10H,1-4H2
InChIKeyOTBCNPBQVAYHHC-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.45
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butane-1,1,2,4-tetrathiol
CID 18963173
pentane-1,3,5-trithiol
CID 19807040
butane-1,3-dithiol
CID 520119
4-(aminomethyl)octane-1,3,6,8-tetrathiol
CID 175508393
2,5-bis(sulfanyl)pentane-1,3-diol
CID 57002171
1,4-bis(sulfanyl)butane-1,2-diol
CID 22316279
butane-1,2,3,4-tetrathiol
CID 18541669
1,11-bis(sulfanyl)undecane-3,6,9-triol
CID 141481744
butane-1,1,4-trithiol
CID 90930217
trimethyl(2-sulfanylethyl)phosphanium chloride
CID 88852671
undecane-1,4,8,11-tetrathiol
CID 57041789
3-fluorobutane-1-thiol
CID 57270000

Frequently Asked Questions

What is the IUPAC name of hexane-1,3,4,6-tetrathiol?
The IUPAC name of hexane-1,3,4,6-tetrathiol (CID 57180046) is hexane-1,3,4,6-tetrathiol.
What is the SMILES notation for hexane-1,3,4,6-tetrathiol?
The canonical SMILES for hexane-1,3,4,6-tetrathiol is SCCC(S)C(S)CCS.
What is the InChIKey of hexane-1,3,4,6-tetrathiol?
The InChIKey is OTBCNPBQVAYHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S4/c7-3-1-5(9)6(10)2-4-8/h5-10H,1-4H2.
What are the key properties of hexane-1,3,4,6-tetrathiol?
hexane-1,3,4,6-tetrathiol has a molecular weight of 214.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,3,4,6-tetrathiol is sourced from PubChem (CID 57180046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).