5-butylsulfanyl-4-methylthiadiazole

C7H12N2S2 — CID 3695661

IUPAC5-butylsulfanyl-4-methylthiadiazole
SMILESCCCCSc1snnc1C
InChIInChI=1S/C7H12N2S2/c1-3-4-5-10-7-6(2)8-9-11-7/h3-5H2,1-2H3
InChIKeyYRONGYBXNVFUGN-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.74
Rot. Bonds4

About 5-butylsulfanyl-4-methylthiadiazole

5-butylsulfanyl-4-methylthiadiazole (PubChem CID 3695661) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 5-butylsulfanyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-butylsulfanyl-4-methylthiadiazole
PubChem CID3695661
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name5-butylsulfanyl-4-methylthiadiazole
SMILESCCCCSc1snnc1C
InChIInChI=1S/C7H12N2S2/c1-3-4-5-10-7-6(2)8-9-11-7/h3-5H2,1-2H3
InChIKeyYRONGYBXNVFUGN-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butylsulfanyl-4-methylthiadiazole?
The IUPAC name of 5-butylsulfanyl-4-methylthiadiazole (CID 3695661) is 5-butylsulfanyl-4-methylthiadiazole.
What is the SMILES notation for 5-butylsulfanyl-4-methylthiadiazole?
The canonical SMILES for 5-butylsulfanyl-4-methylthiadiazole is CCCCSc1snnc1C.
What is the InChIKey of 5-butylsulfanyl-4-methylthiadiazole?
The InChIKey is YRONGYBXNVFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-3-4-5-10-7-6(2)8-9-11-7/h3-5H2,1-2H3.
What are the key properties of 5-butylsulfanyl-4-methylthiadiazole?
5-butylsulfanyl-4-methylthiadiazole has a molecular weight of 188.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfanyl-4-methylthiadiazole is sourced from PubChem (CID 3695661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).