5-ethylsulfanyl-4-methylthiadiazole

C5H8N2S2 — CID 152955427

IUPAC5-ethylsulfanyl-4-methylthiadiazole
SMILESCCSc1snnc1C
InChIInChI=1S/C5H8N2S2/c1-3-8-5-4(2)6-7-9-5/h3H2,1-2H3
InChIKeyUPNIXRYVRNCENC-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.96
Rot. Bonds2

About 5-ethylsulfanyl-4-methylthiadiazole

5-ethylsulfanyl-4-methylthiadiazole (PubChem CID 152955427) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 5-ethylsulfanyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-ethylsulfanyl-4-methylthiadiazole
PubChem CID152955427
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name5-ethylsulfanyl-4-methylthiadiazole
SMILESCCSc1snnc1C
InChIInChI=1S/C5H8N2S2/c1-3-8-5-4(2)6-7-9-5/h3H2,1-2H3
InChIKeyUPNIXRYVRNCENC-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-4-methylthiadiazole?
The IUPAC name of 5-ethylsulfanyl-4-methylthiadiazole (CID 152955427) is 5-ethylsulfanyl-4-methylthiadiazole.
What is the SMILES notation for 5-ethylsulfanyl-4-methylthiadiazole?
The canonical SMILES for 5-ethylsulfanyl-4-methylthiadiazole is CCSc1snnc1C.
What is the InChIKey of 5-ethylsulfanyl-4-methylthiadiazole?
The InChIKey is UPNIXRYVRNCENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-3-8-5-4(2)6-7-9-5/h3H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-4-methylthiadiazole?
5-ethylsulfanyl-4-methylthiadiazole has a molecular weight of 160.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-4-methylthiadiazole is sourced from PubChem (CID 152955427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).