2-benzylsulfanylfuran

C11H10OS — CID 12535616

IUPAC2-benzylsulfanylfuran
SMILESc1ccc(CSc2ccco2)cc1
InChIInChI=1S/C11H10OS/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-8H,9H2
InChIKeyUORYTEXWAFYKDG-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.57
Rot. Bonds3

About 2-benzylsulfanylfuran

2-benzylsulfanylfuran (PubChem CID 12535616) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-benzylsulfanylfuran.

Molecular Properties

Compound Name2-benzylsulfanylfuran
PubChem CID12535616
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name2-benzylsulfanylfuran
SMILESc1ccc(CSc2ccco2)cc1
InChIInChI=1S/C11H10OS/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-8H,9H2
InChIKeyUORYTEXWAFYKDG-UHFFFAOYSA-N
XLogP3.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzylsulfanylfuran 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

3-benzylsulfanyl-5,6-bis(furan-2-yl)-1,2,4-triazine
CID 2940938
2-(furan-2-ylsulfanyl)acetic acid
CID 22006051
3-benzylsulfanyl-5-(furan-2-yl)-1H-1,2,4-triazole
CID 735682
2-phenylsulfanylfuran
CID 11805267
5-benzylsulfanyl-3-methyl-1,2-oxazole
CID 170949618
5-benzylsulfanylfuran-2-carbaldehyde
CID 63803359
benzyl N-hydroxyfuran-2-carboximidothioate
CID 131873115
2-(methyldisulfanyl)furan
CID 6429429
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
S-(4-benzylsulfanylphenyl) carbamothioate
CID 145451020
benzyl (Z)-3-(furan-2-yl)-3-hydroxyprop-2-enedithioate
CID 136716597

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylfuran?
The IUPAC name of 2-benzylsulfanylfuran (CID 12535616) is 2-benzylsulfanylfuran.
What is the SMILES notation for 2-benzylsulfanylfuran?
The canonical SMILES for 2-benzylsulfanylfuran is c1ccc(CSc2ccco2)cc1.
What is the InChIKey of 2-benzylsulfanylfuran?
The InChIKey is UORYTEXWAFYKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-8H,9H2.
What are the key properties of 2-benzylsulfanylfuran?
2-benzylsulfanylfuran has a molecular weight of 190.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylfuran is sourced from PubChem (CID 12535616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).