2-benzylsulfanyl-1-benzofuran

C15H12OS — CID 13181191

IUPAC2-benzylsulfanyl-1-benzofuran
SMILESc1ccc(CSc2cc3ccccc3o2)cc1
InChIInChI=1S/C15H12OS/c1-2-6-12(7-3-1)11-17-15-10-13-8-4-5-9-14(13)16-15/h1-10H,11H2
InChIKeyVPXBVWVNYZURAH-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.73
Rot. Bonds3

About 2-benzylsulfanyl-1-benzofuran

2-benzylsulfanyl-1-benzofuran (PubChem CID 13181191) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-benzofuran.

Molecular Properties

Compound Name2-benzylsulfanyl-1-benzofuran
PubChem CID13181191
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name2-benzylsulfanyl-1-benzofuran
SMILESc1ccc(CSc2cc3ccccc3o2)cc1
InChIInChI=1S/C15H12OS/c1-2-6-12(7-3-1)11-17-15-10-13-8-4-5-9-14(13)16-15/h1-10H,11H2
InChIKeyVPXBVWVNYZURAH-UHFFFAOYSA-N
XLogP4.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzofuran
CID 568
2,3-Dimethylbenzofuran
CID 2734646
2-Methylbenzofuran
CID 20263
Benzofurans
CID 253613
2-Phenyl-benzofuran
CID 3517936
Dibenzofuran, 4-methyl-
CID 43489
2-(2-Thienyl)chromone
CID 240093
4-(1-Benzofuran-2-yl)benzenesulfonamide
CID 127029022
5-Methyl-2-phenyl-1-benzofuran
CID 1211950
(E)-3-(1-benzothiophen-5-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732204
(E)-3-(1-benzothiophen-3-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732205
2-Ethylbenzofuran
CID 76582

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-benzofuran?
The IUPAC name of 2-benzylsulfanyl-1-benzofuran (CID 13181191) is 2-benzylsulfanyl-1-benzofuran.
What is the SMILES notation for 2-benzylsulfanyl-1-benzofuran?
The canonical SMILES for 2-benzylsulfanyl-1-benzofuran is c1ccc(CSc2cc3ccccc3o2)cc1.
What is the InChIKey of 2-benzylsulfanyl-1-benzofuran?
The InChIKey is VPXBVWVNYZURAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-2-6-12(7-3-1)11-17-15-10-13-8-4-5-9-14(13)16-15/h1-10H,11H2.
What are the key properties of 2-benzylsulfanyl-1-benzofuran?
2-benzylsulfanyl-1-benzofuran has a molecular weight of 240.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-benzofuran is sourced from PubChem (CID 13181191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).