2-(butan-2-yldisulfanyl)-1,3-thiazole

C7H11NS3 — CID 10236081

IUPAC2-(butan-2-yldisulfanyl)-1,3-thiazole
SMILESCCC(C)SSc1nccs1
InChIInChI=1S/C7H11NS3/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3
InChIKeyNLEPKZJPFCAMTO-UHFFFAOYSA-N
MW205.37 g/mol
LogP3.68
Rot. Bonds4

About 2-(butan-2-yldisulfanyl)-1,3-thiazole

2-(butan-2-yldisulfanyl)-1,3-thiazole (PubChem CID 10236081) has the molecular formula C7H11NS3 and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-(butan-2-yldisulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(butan-2-yldisulfanyl)-1,3-thiazole
PubChem CID10236081
Molecular FormulaC7H11NS3
Molecular Weight205.37 g/mol
Exact Mass205.01
IUPAC Name2-(butan-2-yldisulfanyl)-1,3-thiazole
SMILESCCC(C)SSc1nccs1
InChIInChI=1S/C7H11NS3/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3
InChIKeyNLEPKZJPFCAMTO-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yldisulfanyl)-1,3-thiazole?
The IUPAC name of 2-(butan-2-yldisulfanyl)-1,3-thiazole (CID 10236081) is 2-(butan-2-yldisulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(butan-2-yldisulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(butan-2-yldisulfanyl)-1,3-thiazole is CCC(C)SSc1nccs1.
What is the InChIKey of 2-(butan-2-yldisulfanyl)-1,3-thiazole?
The InChIKey is NLEPKZJPFCAMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS3/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3.
What are the key properties of 2-(butan-2-yldisulfanyl)-1,3-thiazole?
2-(butan-2-yldisulfanyl)-1,3-thiazole has a molecular weight of 205.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yldisulfanyl)-1,3-thiazole is sourced from PubChem (CID 10236081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).