5-phenylthiadiazole-4-thiol

C8H6N2S2 — CID 14294237

IUPAC5-phenylthiadiazole-4-thiol
SMILESSc1nnsc1-c1ccccc1
InChIInChI=1S/C8H6N2S2/c11-8-7(12-10-9-8)6-4-2-1-3-5-6/h1-5,11H
InChIKeyACDCQYDCRGAKNQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.49
Rot. Bonds1

About 5-phenylthiadiazole-4-thiol

5-phenylthiadiazole-4-thiol (PubChem CID 14294237) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-phenylthiadiazole-4-thiol.

Molecular Properties

Compound Name5-phenylthiadiazole-4-thiol
PubChem CID14294237
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name5-phenylthiadiazole-4-thiol
SMILESSc1nnsc1-c1ccccc1
InChIInChI=1S/C8H6N2S2/c11-8-7(12-10-9-8)6-4-2-1-3-5-6/h1-5,11H
InChIKeyACDCQYDCRGAKNQ-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
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 5-phenylthiadiazole-4-thiol?
The IUPAC name of 5-phenylthiadiazole-4-thiol (CID 14294237) is 5-phenylthiadiazole-4-thiol.
What is the SMILES notation for 5-phenylthiadiazole-4-thiol?
The canonical SMILES for 5-phenylthiadiazole-4-thiol is Sc1nnsc1-c1ccccc1.
What is the InChIKey of 5-phenylthiadiazole-4-thiol?
The InChIKey is ACDCQYDCRGAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c11-8-7(12-10-9-8)6-4-2-1-3-5-6/h1-5,11H.
What are the key properties of 5-phenylthiadiazole-4-thiol?
5-phenylthiadiazole-4-thiol has a molecular weight of 194.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylthiadiazole-4-thiol is sourced from PubChem (CID 14294237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).