2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde

C7H6O2S4 — CID 126763443

IUPAC2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde
SMILESO=Cc1c(O)c(S)c(S)c(S)c1S
InChIInChI=1S/C7H6O2S4/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1,9-13H
InChIKeyJDNHHGOBLQNCTD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.36
Rot. Bonds1

About 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde

2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde (PubChem CID 126763443) has the molecular formula C7H6O2S4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde
PubChem CID126763443
Molecular FormulaC7H6O2S4
Molecular Weight250.39 g/mol
Exact Mass249.93
IUPAC Name2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde
SMILESO=Cc1c(O)c(S)c(S)c(S)c1S
InChIInChI=1S/C7H6O2S4/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1,9-13H
InChIKeyJDNHHGOBLQNCTD-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde (CID 126763443) is 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde is O=Cc1c(O)c(S)c(S)c(S)c1S.
What is the InChIKey of 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde?
The InChIKey is JDNHHGOBLQNCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S4/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1,9-13H.
What are the key properties of 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde?
2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde has a molecular weight of 250.39 g/mol, XLogP of 2.36, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4,5,6-tetrakis(sulfanyl)benzaldehyde is sourced from PubChem (CID 126763443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).