4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol

C12H12N2S4 — CID 155119528

IUPAC4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol
SMILESSc1ccc(NNc2ccc(S)cc2S)c(S)c1
InChIInChI=1S/C12H12N2S4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18/h1-6,13-18H
InChIKeyMCUXHLSPARJXFJ-UHFFFAOYSA-N
MW312.51 g/mol
LogP4.28
Rot. Bonds3

About 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol

4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol (PubChem CID 155119528) has the molecular formula C12H12N2S4 and a molecular weight of 312.51 g/mol. Its IUPAC name is 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol.

Molecular Properties

Compound Name4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol
PubChem CID155119528
Molecular FormulaC12H12N2S4
Molecular Weight312.51 g/mol
Exact Mass311.99
IUPAC Name4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol
SMILESSc1ccc(NNc2ccc(S)cc2S)c(S)c1
InChIInChI=1S/C12H12N2S4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18/h1-6,13-18H
InChIKeyMCUXHLSPARJXFJ-UHFFFAOYSA-N
XLogP4.28
TPSA24.06 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.51
LogP ≤ 54.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol?
The IUPAC name of 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol (CID 155119528) is 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol.
What is the SMILES notation for 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol?
The canonical SMILES for 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol is Sc1ccc(NNc2ccc(S)cc2S)c(S)c1.
What is the InChIKey of 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol?
The InChIKey is MCUXHLSPARJXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18/h1-6,13-18H.
What are the key properties of 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol?
4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol has a molecular weight of 312.51 g/mol, XLogP of 4.28, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,4-bis(sulfanyl)phenyl]hydrazinyl]benzene-1,3-dithiol is sourced from PubChem (CID 155119528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).