1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone

C14H10OS2 — CID 114976116

IUPAC1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccccc3s2)cs1
InChIInChI=1S/C14H10OS2/c1-9-6-11(8-16-9)14(15)13-7-10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKeyAMXNKEXIVOATDS-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.50
Rot. Bonds2

About 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone

1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone (PubChem CID 114976116) has the molecular formula C14H10OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
PubChem CID114976116
Molecular FormulaC14H10OS2
Molecular Weight258.37 g/mol
Exact Mass258.02
IUPAC Name1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccccc3s2)cs1
InChIInChI=1S/C14H10OS2/c1-9-6-11(8-16-9)14(15)13-7-10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKeyAMXNKEXIVOATDS-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
bis(1-benzothiophen-2-yl)methanone
CID 5330534
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408
1-benzothiophen-2-yl(furan-3-yl)methanone
CID 71739499
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
1-benzothiophen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963979
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
1-(1-benzothiophen-2-yl)-2-bromopropan-1-one
CID 142706834
1-benzothiophen-2-yl(1H-indol-2-yl)methanone
CID 134955887
1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
CID 115791389
4-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 61406648

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone (CID 114976116) is 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2cc3ccccc3s2)cs1.
What is the InChIKey of 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone?
The InChIKey is AMXNKEXIVOATDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS2/c1-9-6-11(8-16-9)14(15)13-7-10-4-2-3-5-12(10)17-13/h2-8H,1H3.
What are the key properties of 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone?
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone has a molecular weight of 258.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114976116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).