6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine

C11H13ClN2S — CID 172632192

IUPAC6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine
SMILESCC(C)(C)Sc1cn2ccnc2cc1Cl
InChIInChI=1S/C11H13ClN2S/c1-11(2,3)15-9-7-14-5-4-13-10(14)6-8(9)12/h4-7H,1-3H3
InChIKeyKJSFXTSUUBQHIA-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.88
Rot. Bonds1

About 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine

6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine (PubChem CID 172632192) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine
PubChem CID172632192
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine
SMILESCC(C)(C)Sc1cn2ccnc2cc1Cl
InChIInChI=1S/C11H13ClN2S/c1-11(2,3)15-9-7-14-5-4-13-10(14)6-8(9)12/h4-7H,1-3H3
InChIKeyKJSFXTSUUBQHIA-UHFFFAOYSA-N
XLogP3.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine (CID 172632192) is 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine is CC(C)(C)Sc1cn2ccnc2cc1Cl.
What is the InChIKey of 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine?
The InChIKey is KJSFXTSUUBQHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-11(2,3)15-9-7-14-5-4-13-10(14)6-8(9)12/h4-7H,1-3H3.
What are the key properties of 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine?
6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine has a molecular weight of 240.76 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-7-chloroimidazo[1,2-a]pyridine is sourced from PubChem (CID 172632192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).