[1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene

C14H13NOS — CID 145358217

IUPAC[1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene
SMILESC=CC.Sc1ccc2oc3ccncc3c2c1
InChIInChI=1S/C11H7NOS.C3H6/c14-7-1-2-10-8(5-7)9-6-12-4-3-11(9)13-10;1-3-2/h1-6,14H;3H,1H2,2H3
InChIKeyXJGSLYTZFSNLAM-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.46
Rot. Bonds

About [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene

[1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene (PubChem CID 145358217) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene.

Molecular Properties

Compound Name[1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene
PubChem CID145358217
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name[1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene
SMILESC=CC.Sc1ccc2oc3ccncc3c2c1
InChIInChI=1S/C11H7NOS.C3H6/c14-7-1-2-10-8(5-7)9-6-12-4-3-11(9)13-10;1-3-2/h1-6,14H;3H,1H2,2H3
InChIKeyXJGSLYTZFSNLAM-UHFFFAOYSA-N
XLogP4.46
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90265596
8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90291990
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356
1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine
CID 134524777
CID 145132459
CID 145132459
6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane
CID 144553602
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155076406
[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
CID 70413591
7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine
CID 159117597
N-ethenyl-7-methyl-N-propan-2-yl-[1]benzofuro[3,2-c]pyridin-6-amine
CID 118074680
4-methylpyrido[3,4-e][1,3]oxazin-2-one
CID 142227791

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene?
The IUPAC name of [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene (CID 145358217) is [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene.
What is the SMILES notation for [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene?
The canonical SMILES for [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene is C=CC.Sc1ccc2oc3ccncc3c2c1.
What is the InChIKey of [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene?
The InChIKey is XJGSLYTZFSNLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS.C3H6/c14-7-1-2-10-8(5-7)9-6-12-4-3-11(9)13-10;1-3-2/h1-6,14H;3H,1H2,2H3.
What are the key properties of [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene?
[1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene has a molecular weight of 243.33 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene is sourced from PubChem (CID 145358217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).