5-methylsulfanyl-4-phenylthiadiazole

C9H8N2S2 — CID 1473996

IUPAC5-methylsulfanyl-4-phenylthiadiazole
SMILESCSc1snnc1-c1ccccc1
InChIInChI=1S/C9H8N2S2/c1-12-9-8(10-11-13-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyNQXUDOSPNARBTA-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.93
Rot. Bonds2

About 5-methylsulfanyl-4-phenylthiadiazole

5-methylsulfanyl-4-phenylthiadiazole (PubChem CID 1473996) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methylsulfanyl-4-phenylthiadiazole.

Molecular Properties

Compound Name5-methylsulfanyl-4-phenylthiadiazole
PubChem CID1473996
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name5-methylsulfanyl-4-phenylthiadiazole
SMILESCSc1snnc1-c1ccccc1
InChIInChI=1S/C9H8N2S2/c1-12-9-8(10-11-13-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyNQXUDOSPNARBTA-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-phenylthiadiazole?
The IUPAC name of 5-methylsulfanyl-4-phenylthiadiazole (CID 1473996) is 5-methylsulfanyl-4-phenylthiadiazole.
What is the SMILES notation for 5-methylsulfanyl-4-phenylthiadiazole?
The canonical SMILES for 5-methylsulfanyl-4-phenylthiadiazole is CSc1snnc1-c1ccccc1.
What is the InChIKey of 5-methylsulfanyl-4-phenylthiadiazole?
The InChIKey is NQXUDOSPNARBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-12-9-8(10-11-13-9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 5-methylsulfanyl-4-phenylthiadiazole?
5-methylsulfanyl-4-phenylthiadiazole has a molecular weight of 208.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-phenylthiadiazole is sourced from PubChem (CID 1473996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).