dibenzofuran-1-ylmethanethiol

C13H10OS — CID 163683060

IUPACdibenzofuran-1-ylmethanethiol
SMILESSCc1cccc2oc3ccccc3c12
InChIInChI=1S/C13H10OS/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-7,15H,8H2
InChIKeyJMLKDWXRTIVYAD-UHFFFAOYSA-N
MW214.29 g/mol
LogP4.02
Rot. Bonds1

About dibenzofuran-1-ylmethanethiol

dibenzofuran-1-ylmethanethiol (PubChem CID 163683060) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is dibenzofuran-1-ylmethanethiol.

Molecular Properties

Compound Namedibenzofuran-1-ylmethanethiol
PubChem CID163683060
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Namedibenzofuran-1-ylmethanethiol
SMILESSCc1cccc2oc3ccccc3c12
InChIInChI=1S/C13H10OS/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-7,15H,8H2
InChIKeyJMLKDWXRTIVYAD-UHFFFAOYSA-N
XLogP4.02
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dibenzofuran-1-ylmethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 88536732
CID 88536732
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
1-propylnaphtho[2,1-b][1]benzofuran
CID 164945584
1-benzylxanthen-9-one
CID 18759523
1,7-diethyldibenzofuran
CID 135251716
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
N-methyldibenzofuran-1-amine
CID 135277683
dibenzofuran-1-ylmethanediol
CID 155121478
1-tert-butyldibenzofuran
CID 59078665
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-1-ylmethanethiol?
The IUPAC name of dibenzofuran-1-ylmethanethiol (CID 163683060) is dibenzofuran-1-ylmethanethiol.
What is the SMILES notation for dibenzofuran-1-ylmethanethiol?
The canonical SMILES for dibenzofuran-1-ylmethanethiol is SCc1cccc2oc3ccccc3c12.
What is the InChIKey of dibenzofuran-1-ylmethanethiol?
The InChIKey is JMLKDWXRTIVYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-7,15H,8H2.
What are the key properties of dibenzofuran-1-ylmethanethiol?
dibenzofuran-1-ylmethanethiol has a molecular weight of 214.29 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-1-ylmethanethiol is sourced from PubChem (CID 163683060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).