1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone

C14H10O2S — CID 43463414

IUPAC1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1csc2ccccc12
InChIInChI=1S/C14H10O2S/c1-9-10(6-7-16-9)14(15)12-8-17-13-5-3-2-4-11(12)13/h2-8H,1H3
InChIKeyFYFQQZDKBGGWDY-UHFFFAOYSA-N
MW242.30 g/mol
LogP4.03
Rot. Bonds2

About 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone

1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone (PubChem CID 43463414) has the molecular formula C14H10O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone
PubChem CID43463414
Molecular FormulaC14H10O2S
Molecular Weight242.30 g/mol
Exact Mass242.04
IUPAC Name1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1csc2ccccc12
InChIInChI=1S/C14H10O2S/c1-9-10(6-7-16-9)14(15)12-8-17-13-5-3-2-4-11(12)13/h2-8H,1H3
InChIKeyFYFQQZDKBGGWDY-UHFFFAOYSA-N
XLogP4.03
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
(2-methylfuran-3-yl)-(1-methylindol-3-yl)methanone
CID 43463456
1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
CID 113395873
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
ethyl 1-benzothiophene-3-carboxylate
CID 898679
1-benzothiophen-3-yl-(2,4-dibromophenyl)methanone
CID 114019722
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865
1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone
CID 114023487
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanone
CID 115813663
3-[1-benzothiophen-3-yl(bromo)methyl]-2-methylfuran
CID 55199927
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 17374715

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone (CID 43463414) is 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone?
The InChIKey is FYFQQZDKBGGWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S/c1-9-10(6-7-16-9)14(15)12-8-17-13-5-3-2-4-11(12)13/h2-8H,1H3.
What are the key properties of 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone?
1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone has a molecular weight of 242.30 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 43463414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).