2,2-bis(1-benzothiophen-2-yl)oxirane

C18H12OS2 — CID 90390877

IUPAC2,2-bis(1-benzothiophen-2-yl)oxirane
SMILESc1ccc2sc(C3(c4cc5ccccc5s4)CO3)cc2c1
InChIInChI=1S/C18H12OS2/c1-3-7-14-12(5-1)9-16(20-14)18(11-19-18)17-10-13-6-2-4-8-15(13)21-17/h1-10H,11H2
InChIKeyZWPLCXOGIJDBHU-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.39
Rot. Bonds2

About 2,2-bis(1-benzothiophen-2-yl)oxirane

2,2-bis(1-benzothiophen-2-yl)oxirane (PubChem CID 90390877) has the molecular formula C18H12OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2,2-bis(1-benzothiophen-2-yl)oxirane.

Molecular Properties

Compound Name2,2-bis(1-benzothiophen-2-yl)oxirane
PubChem CID90390877
Molecular FormulaC18H12OS2
Molecular Weight308.43 g/mol
Exact Mass308.03
IUPAC Name2,2-bis(1-benzothiophen-2-yl)oxirane
SMILESc1ccc2sc(C3(c4cc5ccccc5s4)CO3)cc2c1
InChIInChI=1S/C18H12OS2/c1-3-7-14-12(5-1)9-16(20-14)18(11-19-18)17-10-13-6-2-4-8-15(13)21-17/h1-10H,11H2
InChIKeyZWPLCXOGIJDBHU-UHFFFAOYSA-N
XLogP5.39
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

9-(1-benzothiophen-2-yl)fluoren-9-ol
CID 22117570
1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol
CID 10105986
(3R)-3-(1-benzothiophen-2-yl)-1,3-dimethylpyrrolidine
CID 126704852
(5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
CID 126704810
3-(1-benzothiophen-2-yl)-3-methyl-2-benzofuran-1-one
CID 13004758
1-[4-(1-benzothiophen-2-yl)thian-4-yl]piperidine
CID 10805468
1-[[1-(1-benzothiophen-2-yl)cyclopropyl]methyl]pyrrole-2,5-dione
CID 71249258
1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one
CID 174424809
2-(fluoromethyl)-1-benzothiophene
CID 119085404
4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methylphenol
CID 141409415
5-(1-benzothiophen-2-yl)-2,3-dihydrofuran
CID 135169502
1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine
CID 10424083

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-benzothiophen-2-yl)oxirane?
The IUPAC name of 2,2-bis(1-benzothiophen-2-yl)oxirane (CID 90390877) is 2,2-bis(1-benzothiophen-2-yl)oxirane.
What is the SMILES notation for 2,2-bis(1-benzothiophen-2-yl)oxirane?
The canonical SMILES for 2,2-bis(1-benzothiophen-2-yl)oxirane is c1ccc2sc(C3(c4cc5ccccc5s4)CO3)cc2c1.
What is the InChIKey of 2,2-bis(1-benzothiophen-2-yl)oxirane?
The InChIKey is ZWPLCXOGIJDBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12OS2/c1-3-7-14-12(5-1)9-16(20-14)18(11-19-18)17-10-13-6-2-4-8-15(13)21-17/h1-10H,11H2.
What are the key properties of 2,2-bis(1-benzothiophen-2-yl)oxirane?
2,2-bis(1-benzothiophen-2-yl)oxirane has a molecular weight of 308.43 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-benzothiophen-2-yl)oxirane is sourced from PubChem (CID 90390877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).