(8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol

C8H7ClN2S — CID 117256709

IUPAC(8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol
SMILESSCc1cn2cccc(Cl)c2n1
InChIInChI=1S/C8H7ClN2S/c9-7-2-1-3-11-4-6(5-12)10-8(7)11/h1-4,12H,5H2
InChIKeyOJZOMMXCPUPHFF-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.42
Rot. Bonds1

About (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol

(8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol (PubChem CID 117256709) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol.

Molecular Properties

Compound Name(8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol
PubChem CID117256709
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name(8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol
SMILESSCc1cn2cccc(Cl)c2n1
InChIInChI=1S/C8H7ClN2S/c9-7-2-1-3-11-4-6(5-12)10-8(7)11/h1-4,12H,5H2
InChIKeyOJZOMMXCPUPHFF-UHFFFAOYSA-N
XLogP2.42
TPSA17.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8-chloro-2-propylimidazo[1,2-a]pyridine
CID 117137517
8-chloro-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117256638
8-chloro-2-[(4-chlorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137468
8-chloro-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117136187
N-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methyl]cyclobutanamine
CID 117256627
8-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136059
1-[4-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529673
8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclopropyl]imidazo[1,2-a]pyridine
CID 72709221
8-chloro-2-[2-(8-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]imidazo[1,2-a]pyridine
CID 72709703
3-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzoic acid
CID 82529675
1-[2-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529670
2-[(2,6-dichlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine
CID 24675023

Frequently Asked Questions

What is the IUPAC name of (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol?
The IUPAC name of (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol (CID 117256709) is (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol.
What is the SMILES notation for (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol?
The canonical SMILES for (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol is SCc1cn2cccc(Cl)c2n1.
What is the InChIKey of (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol?
The InChIKey is OJZOMMXCPUPHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c9-7-2-1-3-11-4-6(5-12)10-8(7)11/h1-4,12H,5H2.
What are the key properties of (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol?
(8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol has a molecular weight of 198.68 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloroimidazo[1,2-a]pyridin-2-yl)methanethiol is sourced from PubChem (CID 117256709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).