2-methylsulfanyl-1-benzofuran

C9H8OS — CID 15896822

IUPAC2-methylsulfanyl-1-benzofuran
SMILESCSc1cc2ccccc2o1
InChIInChI=1S/C9H8OS/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-6H,1H3
InChIKeyMKJKDWCBQDPXSJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP3.15
Rot. Bonds1

About 2-methylsulfanyl-1-benzofuran

2-methylsulfanyl-1-benzofuran (PubChem CID 15896822) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-methylsulfanyl-1-benzofuran.

Molecular Properties

Compound Name2-methylsulfanyl-1-benzofuran
PubChem CID15896822
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name2-methylsulfanyl-1-benzofuran
SMILESCSc1cc2ccccc2o1
InChIInChI=1S/C9H8OS/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-6H,1H3
InChIKeyMKJKDWCBQDPXSJ-UHFFFAOYSA-N
XLogP3.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzofuran
CID 9223
Dibenzofuran
CID 568
2,3-Dimethylbenzofuran
CID 2734646
2-Methylbenzofuran
CID 20263
2-Acetylbenzofuran
CID 15435
Benzo[b]furan-2-boronic acid
CID 2776266
1-Benzofuran-2-Sulfonamide
CID 10750432
2-Phenyl-benzofuran
CID 3517936
2-(2-Thienyl)chromone
CID 240093
methyl (2E)-3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479262
3-Methylbenzofuran
CID 88939
2-Ethylbenzofuran
CID 76582

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-benzofuran?
The IUPAC name of 2-methylsulfanyl-1-benzofuran (CID 15896822) is 2-methylsulfanyl-1-benzofuran.
What is the SMILES notation for 2-methylsulfanyl-1-benzofuran?
The canonical SMILES for 2-methylsulfanyl-1-benzofuran is CSc1cc2ccccc2o1.
What is the InChIKey of 2-methylsulfanyl-1-benzofuran?
The InChIKey is MKJKDWCBQDPXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-6H,1H3.
What are the key properties of 2-methylsulfanyl-1-benzofuran?
2-methylsulfanyl-1-benzofuran has a molecular weight of 164.23 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-benzofuran is sourced from PubChem (CID 15896822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).