bis(1-benzothiophen-2-yl)methanone

C17H10OS2 — CID 5330534

IUPACbis(1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2ccccc2s1)c1cc2ccccc2s1
InChIInChI=1S/C17H10OS2/c18-17(15-9-11-5-1-3-7-13(11)19-15)16-10-12-6-2-4-8-14(12)20-16/h1-10H
InChIKeyXGEOFOPAAWHTSM-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.35
Rot. Bonds2

About bis(1-benzothiophen-2-yl)methanone

bis(1-benzothiophen-2-yl)methanone (PubChem CID 5330534) has the molecular formula C17H10OS2 and a molecular weight of 294.40 g/mol. Its IUPAC name is bis(1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Namebis(1-benzothiophen-2-yl)methanone
PubChem CID5330534
Molecular FormulaC17H10OS2
Molecular Weight294.40 g/mol
Exact Mass294.02
IUPAC Namebis(1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2ccccc2s1)c1cc2ccccc2s1
InChIInChI=1S/C17H10OS2/c18-17(15-9-11-5-1-3-7-13(11)19-15)16-10-12-6-2-4-8-14(12)20-16/h1-10H
InChIKeyXGEOFOPAAWHTSM-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408
1-benzothiophen-2-yl(1H-indol-2-yl)methanone
CID 134955887
1-benzothiophen-2-yl(furan-3-yl)methanone
CID 71739499
1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
CID 141104208
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116
1-benzothiophen-2-yl(pyrazin-2-yl)methanone
CID 114973147
1-benzothiophene-2-carbothioamide
CID 15166169
4-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 61406648

Frequently Asked Questions

What is the IUPAC name of bis(1-benzothiophen-2-yl)methanone?
The IUPAC name of bis(1-benzothiophen-2-yl)methanone (CID 5330534) is bis(1-benzothiophen-2-yl)methanone.
What is the SMILES notation for bis(1-benzothiophen-2-yl)methanone?
The canonical SMILES for bis(1-benzothiophen-2-yl)methanone is O=C(c1cc2ccccc2s1)c1cc2ccccc2s1.
What is the InChIKey of bis(1-benzothiophen-2-yl)methanone?
The InChIKey is XGEOFOPAAWHTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10OS2/c18-17(15-9-11-5-1-3-7-13(11)19-15)16-10-12-6-2-4-8-14(12)20-16/h1-10H.
What are the key properties of bis(1-benzothiophen-2-yl)methanone?
bis(1-benzothiophen-2-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 5330534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).