1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane

C13H22N2S — CID 156750979

IUPAC1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane
SMILESCC.CC.Cc1cc2c[nH]c(=S)cc2n1C
InChIInChI=1S/C9H10N2S.2C2H6/c1-6-3-7-5-10-9(12)4-8(7)11(6)2;2*1-2/h3-5H,1-2H3,(H,10,12);2*1-2H3
InChIKeyMOMXKMXPASWPLI-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.60
Rot. Bonds

About 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane

1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane (PubChem CID 156750979) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane.

Molecular Properties

Compound Name1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane
PubChem CID156750979
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane
SMILESCC.CC.Cc1cc2c[nH]c(=S)cc2n1C
InChIInChI=1S/C9H10N2S.2C2H6/c1-6-3-7-5-10-9(12)4-8(7)11(6)2;2*1-2/h3-5H,1-2H3,(H,10,12);2*1-2H3
InChIKeyMOMXKMXPASWPLI-UHFFFAOYSA-N
XLogP4.60
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane?
The IUPAC name of 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane (CID 156750979) is 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane.
What is the SMILES notation for 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane?
The canonical SMILES for 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane is CC.CC.Cc1cc2c[nH]c(=S)cc2n1C.
What is the InChIKey of 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane?
The InChIKey is MOMXKMXPASWPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S.2C2H6/c1-6-3-7-5-10-9(12)4-8(7)11(6)2;2*1-2/h3-5H,1-2H3,(H,10,12);2*1-2H3.
What are the key properties of 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane?
1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane has a molecular weight of 238.40 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5H-pyrrolo[3,2-c]pyridine-6-thione;ethane is sourced from PubChem (CID 156750979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).