2-(1,3-benzodithiol-2-yl)-1-benzofuran

C15H10OS2 — CID 102436432

IUPAC2-(1,3-benzodithiol-2-yl)-1-benzofuran
SMILESc1ccc2c(c1)SC(c1cc3ccccc3o1)S2
InChIInChI=1S/C15H10OS2/c1-2-6-11-10(5-1)9-12(16-11)15-17-13-7-3-4-8-14(13)18-15/h1-9,15H
InChIKeyJYJVMJTUWAJGMD-UHFFFAOYSA-N
MW270.38 g/mol
LogP5.33
Rot. Bonds1

About 2-(1,3-benzodithiol-2-yl)-1-benzofuran

2-(1,3-benzodithiol-2-yl)-1-benzofuran (PubChem CID 102436432) has the molecular formula C15H10OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1,3-benzodithiol-2-yl)-1-benzofuran.

Molecular Properties

Compound Name2-(1,3-benzodithiol-2-yl)-1-benzofuran
PubChem CID102436432
Molecular FormulaC15H10OS2
Molecular Weight270.38 g/mol
Exact Mass270.02
IUPAC Name2-(1,3-benzodithiol-2-yl)-1-benzofuran
SMILESc1ccc2c(c1)SC(c1cc3ccccc3o1)S2
InChIInChI=1S/C15H10OS2/c1-2-6-11-10(5-1)9-12(16-11)15-17-13-7-3-4-8-14(13)18-15/h1-9,15H
InChIKeyJYJVMJTUWAJGMD-UHFFFAOYSA-N
XLogP5.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-benzofuran
CID 12528043
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
2-(1-benzofuran-2-yl)-1,3-thiazolidine
CID 63898466
3-(1-benzofuran-2-yl)-1,4-thiazepane
CID 66216793
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
CID 118967498
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide
CID 142711103
2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine
CID 70570893
2-(1-benzofuran-2-yl)-1-benzofuran-3-one
CID 174996642
3-(1-benzofuran-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 90998949
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
CID 114733615
(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodithiol-2-yl)-1-benzofuran?
The IUPAC name of 2-(1,3-benzodithiol-2-yl)-1-benzofuran (CID 102436432) is 2-(1,3-benzodithiol-2-yl)-1-benzofuran.
What is the SMILES notation for 2-(1,3-benzodithiol-2-yl)-1-benzofuran?
The canonical SMILES for 2-(1,3-benzodithiol-2-yl)-1-benzofuran is c1ccc2c(c1)SC(c1cc3ccccc3o1)S2.
What is the InChIKey of 2-(1,3-benzodithiol-2-yl)-1-benzofuran?
The InChIKey is JYJVMJTUWAJGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10OS2/c1-2-6-11-10(5-1)9-12(16-11)15-17-13-7-3-4-8-14(13)18-15/h1-9,15H.
What are the key properties of 2-(1,3-benzodithiol-2-yl)-1-benzofuran?
2-(1,3-benzodithiol-2-yl)-1-benzofuran has a molecular weight of 270.38 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodithiol-2-yl)-1-benzofuran is sourced from PubChem (CID 102436432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).