2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one

C19H10OS2 — CID 15515264

IUPAC2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
SMILESO=c1c(-c2cc3ccccc3s2)c1-c1cc2ccccc2s1
InChIInChI=1S/C19H10OS2/c20-19-17(15-9-11-5-1-3-7-13(11)21-15)18(19)16-10-12-6-2-4-8-14(12)22-16/h1-10H
InChIKeyNZSYKUVHKDIACR-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.69
Rot. Bonds2

About 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one

2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one (PubChem CID 15515264) has the molecular formula C19H10OS2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one.

Molecular Properties

Compound Name2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
PubChem CID15515264
Molecular FormulaC19H10OS2
Molecular Weight318.42 g/mol
Exact Mass318.02
IUPAC Name2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
SMILESO=c1c(-c2cc3ccccc3s2)c1-c1cc2ccccc2s1
InChIInChI=1S/C19H10OS2/c20-19-17(15-9-11-5-1-3-7-13(11)21-15)18(19)16-10-12-6-2-4-8-14(12)22-16/h1-10H
InChIKeyNZSYKUVHKDIACR-UHFFFAOYSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one?
The IUPAC name of 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one (CID 15515264) is 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one.
What is the SMILES notation for 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one?
The canonical SMILES for 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one is O=c1c(-c2cc3ccccc3s2)c1-c1cc2ccccc2s1.
What is the InChIKey of 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one?
The InChIKey is NZSYKUVHKDIACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10OS2/c20-19-17(15-9-11-5-1-3-7-13(11)21-15)18(19)16-10-12-6-2-4-8-14(12)22-16/h1-10H.
What are the key properties of 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one?
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one has a molecular weight of 318.42 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one is sourced from PubChem (CID 15515264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).