(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol

C8H11BrN2S — CID 117247227

IUPAC(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
SMILESSCc1nc(Br)c2n1CCCC2
InChIInChI=1S/C8H11BrN2S/c9-8-6-3-1-2-4-11(6)7(5-12)10-8/h12H,1-5H2
InChIKeyCPSDSRGSSFKJQU-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.41
Rot. Bonds1

About (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol

(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol (PubChem CID 117247227) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol.

Molecular Properties

Compound Name(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
PubChem CID117247227
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
SMILESSCc1nc(Br)c2n1CCCC2
InChIInChI=1S/C8H11BrN2S/c9-8-6-3-1-2-4-11(6)7(5-12)10-8/h12H,1-5H2
InChIKeyCPSDSRGSSFKJQU-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.41
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

(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
CID 117247198
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)butan-1-ol
CID 116984663
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine
CID 116984672
[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984469
1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine
CID 116984648
1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116836759
1-bromo-3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116984576
methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate
CID 116984622
3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247244
[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine
CID 116984588
2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 10356283
3-bromo-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191

Frequently Asked Questions

What is the IUPAC name of (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol?
The IUPAC name of (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol (CID 117247227) is (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol.
What is the SMILES notation for (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol?
The canonical SMILES for (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol is SCc1nc(Br)c2n1CCCC2.
What is the InChIKey of (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol?
The InChIKey is CPSDSRGSSFKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c9-8-6-3-1-2-4-11(6)7(5-12)10-8/h12H,1-5H2.
What are the key properties of (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol?
(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol has a molecular weight of 247.16 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol is sourced from PubChem (CID 117247227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).