(4-bromothiophen-3-yl)-phenylmethanone

C11H7BrOS — CID 10730520

IUPAC(4-bromothiophen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cscc1Br
InChIInChI=1S/C11H7BrOS/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h1-7H
InChIKeyRGQPWMFTTSKFKN-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.74
Rot. Bonds2

About (4-bromothiophen-3-yl)-phenylmethanone

(4-bromothiophen-3-yl)-phenylmethanone (PubChem CID 10730520) has the molecular formula C11H7BrOS and a molecular weight of 267.15 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-phenylmethanone
PubChem CID10730520
Molecular FormulaC11H7BrOS
Molecular Weight267.15 g/mol
Exact Mass265.94
IUPAC Name(4-bromothiophen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cscc1Br
InChIInChI=1S/C11H7BrOS/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h1-7H
InChIKeyRGQPWMFTTSKFKN-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-phenylmethanone?
The IUPAC name of (4-bromothiophen-3-yl)-phenylmethanone (CID 10730520) is (4-bromothiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-phenylmethanone?
The canonical SMILES for (4-bromothiophen-3-yl)-phenylmethanone is O=C(c1ccccc1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-phenylmethanone?
The InChIKey is RGQPWMFTTSKFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrOS/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (4-bromothiophen-3-yl)-phenylmethanone?
(4-bromothiophen-3-yl)-phenylmethanone has a molecular weight of 267.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 10730520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).