1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione

C8H8N2S — CID 141136079

IUPAC1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione
SMILESCn1ccc2cc(=S)[nH]cc21
InChIInChI=1S/C8H8N2S/c1-10-3-2-6-4-8(11)9-5-7(6)10/h2-5H,1H3,(H,9,11)
InChIKeyWBDOSGUPOMHTOB-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.24
Rot. Bonds

About 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione

1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione (PubChem CID 141136079) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione.

Molecular Properties

Compound Name1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione
PubChem CID141136079
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione
SMILESCn1ccc2cc(=S)[nH]cc21
InChIInChI=1S/C8H8N2S/c1-10-3-2-6-4-8(11)9-5-7(6)10/h2-5H,1H3,(H,9,11)
InChIKeyWBDOSGUPOMHTOB-UHFFFAOYSA-N
XLogP2.24
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-methyl-1H-pyridine-2-thione
CID 23016413
5-amino-3-methyl-1H-pyridine-2-thione
CID 62476746
1,6-Dihydropyrrolo[2,3-c]pyridine-5-thione;hydrochloride
CID 68803776
1,6-Dihydropyrrolo[2,3-c]pyridine-5-thione
CID 68803777
4-amino-5-methyl-1H-pyridine-2-thione
CID 83267779
4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione
CID 89435576
Ethane;2-methyl-1,5-dihydropyrrolo[3,2-c]pyridine-6-thione
CID 141805882
ethane;3-ethenyl-1H-pyridine-2-thione
CID 144475865
6-Methyl-1,2-dihydropyrrolo[2,3-c]pyridine
CID 144657023
1,2-Dihydropyridine-4-carbothioamide;ethane
CID 144789910
4-amino-3-methyl-1H-pyridine-2-thione
CID 153805479
1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane
CID 156750979

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione?
The IUPAC name of 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione (CID 141136079) is 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione.
What is the SMILES notation for 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione?
The canonical SMILES for 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione is Cn1ccc2cc(=S)[nH]cc21.
What is the InChIKey of 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione?
The InChIKey is WBDOSGUPOMHTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-10-3-2-6-4-8(11)9-5-7(6)10/h2-5H,1H3,(H,9,11).
What are the key properties of 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione?
1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione has a molecular weight of 164.23 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione is sourced from PubChem (CID 141136079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).