5-butylsulfinyl-4-methylthiadiazole

C7H12N2OS2 — CID 3800287

IUPAC5-butylsulfinyl-4-methylthiadiazole
SMILESCCCCS(=O)c1snnc1C
InChIInChI=1S/C7H12N2OS2/c1-3-4-5-12(10)7-6(2)8-9-11-7/h3-5H2,1-2H3
InChIKeyUZQJYSZUYSSLTP-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.75
Rot. Bonds4

About 5-butylsulfinyl-4-methylthiadiazole

5-butylsulfinyl-4-methylthiadiazole (PubChem CID 3800287) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-butylsulfinyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-butylsulfinyl-4-methylthiadiazole
PubChem CID3800287
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name5-butylsulfinyl-4-methylthiadiazole
SMILESCCCCS(=O)c1snnc1C
InChIInChI=1S/C7H12N2OS2/c1-3-4-5-12(10)7-6(2)8-9-11-7/h3-5H2,1-2H3
InChIKeyUZQJYSZUYSSLTP-UHFFFAOYSA-N
XLogP1.75
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butylsulfinyl-4-methylthiadiazole?
The IUPAC name of 5-butylsulfinyl-4-methylthiadiazole (CID 3800287) is 5-butylsulfinyl-4-methylthiadiazole.
What is the SMILES notation for 5-butylsulfinyl-4-methylthiadiazole?
The canonical SMILES for 5-butylsulfinyl-4-methylthiadiazole is CCCCS(=O)c1snnc1C.
What is the InChIKey of 5-butylsulfinyl-4-methylthiadiazole?
The InChIKey is UZQJYSZUYSSLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-3-4-5-12(10)7-6(2)8-9-11-7/h3-5H2,1-2H3.
What are the key properties of 5-butylsulfinyl-4-methylthiadiazole?
5-butylsulfinyl-4-methylthiadiazole has a molecular weight of 204.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfinyl-4-methylthiadiazole is sourced from PubChem (CID 3800287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).