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

C8H11BrN2S — CID 117247198

IUPAC(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
SMILESSCc1nc(Br)n2c1CCCC2
InChIInChI=1S/C8H11BrN2S/c9-8-10-6(5-12)7-3-1-2-4-11(7)8/h12H,1-5H2
InChIKeyHAODYXUEOLUUIK-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.41
Rot. Bonds1

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

(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol (PubChem CID 117247198) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol.

Molecular Properties

Compound Name(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
PubChem CID117247198
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
SMILESSCc1nc(Br)n2c1CCCC2
InChIInChI=1S/C8H11BrN2S/c9-8-10-6(5-12)7-3-1-2-4-11(7)8/h12H,1-5H2
InChIKeyHAODYXUEOLUUIK-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-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191
(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
CID 117247227
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
CID 131355066
3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 84609635
[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984469
5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 84609551
(3-hydrazinyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 116984559
1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 83865351
[3-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116836872
(3-piperazin-1-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 116984493
[3-[1-(hydroxymethyl)cyclobutyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984533

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol?
The IUPAC name of (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol (CID 117247198) is (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol.
What is the SMILES notation for (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol?
The canonical SMILES for (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol is SCc1nc(Br)n2c1CCCC2.
What is the InChIKey of (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol?
The InChIKey is HAODYXUEOLUUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c9-8-10-6(5-12)7-3-1-2-4-11(7)8/h12H,1-5H2.
What are the key properties of (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol?
(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-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 (3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol is sourced from PubChem (CID 117247198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).