4-(furan-3-yl)benzenethiol

C10H8OS — CID 162435575

IUPAC4-(furan-3-yl)benzenethiol
SMILESSc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C10H8OS/c12-10-3-1-8(2-4-10)9-5-6-11-7-9/h1-7,12H
InChIKeyXWWULSJUXVVMDG-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.24
Rot. Bonds1

About 4-(furan-3-yl)benzenethiol

4-(furan-3-yl)benzenethiol (PubChem CID 162435575) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-(furan-3-yl)benzenethiol.

Molecular Properties

Compound Name4-(furan-3-yl)benzenethiol
PubChem CID162435575
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name4-(furan-3-yl)benzenethiol
SMILESSc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C10H8OS/c12-10-3-1-8(2-4-10)9-5-6-11-7-9/h1-7,12H
InChIKeyXWWULSJUXVVMDG-UHFFFAOYSA-N
XLogP3.24
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-phenylfuran
CID 91349399
2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole
CID 122206225
1-[4-(furan-3-yl)phenyl]-N-methylethanamine
CID 63949145
3-(3,5-dichlorophenyl)furan
CID 76539737
3-(furan-3-yl)furan;nitric acid
CID 175941558
3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]furan
CID 89143582
2-fluoro-4-(furan-3-yl)aniline
CID 63949951
5-[4-(furan-3-yl)phenyl]cyclohexane-1,3-dione
CID 70907522
ethyl 4-(furan-3-yl)benzoate
CID 86071197
6-chlorocyclopenta[c]pyran
CID 91426010
6-methylcyclopenta[c]pyran
CID 57109394
3-(3-fluorophenyl)furan
CID 58166115

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)benzenethiol?
The IUPAC name of 4-(furan-3-yl)benzenethiol (CID 162435575) is 4-(furan-3-yl)benzenethiol.
What is the SMILES notation for 4-(furan-3-yl)benzenethiol?
The canonical SMILES for 4-(furan-3-yl)benzenethiol is Sc1ccc(-c2ccoc2)cc1.
What is the InChIKey of 4-(furan-3-yl)benzenethiol?
The InChIKey is XWWULSJUXVVMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c12-10-3-1-8(2-4-10)9-5-6-11-7-9/h1-7,12H.
What are the key properties of 4-(furan-3-yl)benzenethiol?
4-(furan-3-yl)benzenethiol has a molecular weight of 176.24 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)benzenethiol is sourced from PubChem (CID 162435575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).