5-tert-butylsulfanyl-4-methylthiadiazole

C7H12N2S2 — CID 1473865

IUPAC5-tert-butylsulfanyl-4-methylthiadiazole
SMILESCc1nnsc1SC(C)(C)C
InChIInChI=1S/C7H12N2S2/c1-5-6(11-9-8-5)10-7(2,3)4/h1-4H3
InChIKeyHPALQPLSWVISTB-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.74
Rot. Bonds1

About 5-tert-butylsulfanyl-4-methylthiadiazole

5-tert-butylsulfanyl-4-methylthiadiazole (PubChem CID 1473865) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 5-tert-butylsulfanyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-tert-butylsulfanyl-4-methylthiadiazole
PubChem CID1473865
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name5-tert-butylsulfanyl-4-methylthiadiazole
SMILESCc1nnsc1SC(C)(C)C
InChIInChI=1S/C7H12N2S2/c1-5-6(11-9-8-5)10-7(2,3)4/h1-4H3
InChIKeyHPALQPLSWVISTB-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanyl-4-methylthiadiazole?
The IUPAC name of 5-tert-butylsulfanyl-4-methylthiadiazole (CID 1473865) is 5-tert-butylsulfanyl-4-methylthiadiazole.
What is the SMILES notation for 5-tert-butylsulfanyl-4-methylthiadiazole?
The canonical SMILES for 5-tert-butylsulfanyl-4-methylthiadiazole is Cc1nnsc1SC(C)(C)C.
What is the InChIKey of 5-tert-butylsulfanyl-4-methylthiadiazole?
The InChIKey is HPALQPLSWVISTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-5-6(11-9-8-5)10-7(2,3)4/h1-4H3.
What are the key properties of 5-tert-butylsulfanyl-4-methylthiadiazole?
5-tert-butylsulfanyl-4-methylthiadiazole has a molecular weight of 188.32 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanyl-4-methylthiadiazole is sourced from PubChem (CID 1473865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).