methanethiol;1H-pyrrolo[2,3-b]pyridine

C8H10N2S — CID 145094604

IUPACmethanethiol;1H-pyrrolo[2,3-b]pyridine
SMILESCS.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2.CH4S/c1-2-6-3-5-9-7(6)8-4-1;1-2/h1-5H,(H,8,9);2H,1H3
InChIKeyXUAOFJVMSXMKEX-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.11
Rot. Bonds

About methanethiol;1H-pyrrolo[2,3-b]pyridine

methanethiol;1H-pyrrolo[2,3-b]pyridine (PubChem CID 145094604) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is methanethiol;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namemethanethiol;1H-pyrrolo[2,3-b]pyridine
PubChem CID145094604
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Namemethanethiol;1H-pyrrolo[2,3-b]pyridine
SMILESCS.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2.CH4S/c1-2-6-3-5-9-7(6)8-4-1;1-2/h1-5H,(H,8,9);2H,1H3
InChIKeyXUAOFJVMSXMKEX-UHFFFAOYSA-N
XLogP2.11
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;propane;1H-pyrrolo[2,3-b]pyridine
CID 163390123
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CID 67326610
bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine
CID 174310958
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CID 161406896
1H-pyrrolo[2,3-c]azepin-8-one
CID 18626913
N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
CID 58087251
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
methanamine;1H-pyrazolo[5,4-b]pyridine
CID 143863701
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CID 175710631
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CID 167479315

Frequently Asked Questions

What is the IUPAC name of methanethiol;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of methanethiol;1H-pyrrolo[2,3-b]pyridine (CID 145094604) is methanethiol;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for methanethiol;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for methanethiol;1H-pyrrolo[2,3-b]pyridine is CS.c1cnc2[nH]ccc2c1.
What is the InChIKey of methanethiol;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XUAOFJVMSXMKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.CH4S/c1-2-6-3-5-9-7(6)8-4-1;1-2/h1-5H,(H,8,9);2H,1H3.
What are the key properties of methanethiol;1H-pyrrolo[2,3-b]pyridine?
methanethiol;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 166.25 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 145094604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).