5-butan-2-ylsulfanyl-4-methylthiadiazole

C7H12N2S2 — CID 3798335

IUPAC5-butan-2-ylsulfanyl-4-methylthiadiazole
SMILESCCC(C)Sc1snnc1C
InChIInChI=1S/C7H12N2S2/c1-4-5(2)10-7-6(3)8-9-11-7/h5H,4H2,1-3H3
InChIKeyNUQFMCMHBXFRNA-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.74
Rot. Bonds3

About 5-butan-2-ylsulfanyl-4-methylthiadiazole

5-butan-2-ylsulfanyl-4-methylthiadiazole (PubChem CID 3798335) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 5-butan-2-ylsulfanyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-butan-2-ylsulfanyl-4-methylthiadiazole
PubChem CID3798335
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name5-butan-2-ylsulfanyl-4-methylthiadiazole
SMILESCCC(C)Sc1snnc1C
InChIInChI=1S/C7H12N2S2/c1-4-5(2)10-7-6(3)8-9-11-7/h5H,4H2,1-3H3
InChIKeyNUQFMCMHBXFRNA-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-butan-2-ylsulfanyl-4-methylthiadiazole?
The IUPAC name of 5-butan-2-ylsulfanyl-4-methylthiadiazole (CID 3798335) is 5-butan-2-ylsulfanyl-4-methylthiadiazole.
What is the SMILES notation for 5-butan-2-ylsulfanyl-4-methylthiadiazole?
The canonical SMILES for 5-butan-2-ylsulfanyl-4-methylthiadiazole is CCC(C)Sc1snnc1C.
What is the InChIKey of 5-butan-2-ylsulfanyl-4-methylthiadiazole?
The InChIKey is NUQFMCMHBXFRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-4-5(2)10-7-6(3)8-9-11-7/h5H,4H2,1-3H3.
What are the key properties of 5-butan-2-ylsulfanyl-4-methylthiadiazole?
5-butan-2-ylsulfanyl-4-methylthiadiazole has a molecular weight of 188.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylsulfanyl-4-methylthiadiazole is sourced from PubChem (CID 3798335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).