1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone

C12H7BrF2OS2 — CID 43224922

IUPAC1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)c(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H7BrF2OS2/c13-12-4-3-11(18-12)10(16)6-17-7-1-2-8(14)9(15)5-7/h1-5H,6H2
InChIKeyYAKMJWVRRALJCC-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.76
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone

1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone (PubChem CID 43224922) has the molecular formula C12H7BrF2OS2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone
PubChem CID43224922
Molecular FormulaC12H7BrF2OS2
Molecular Weight349.22 g/mol
Exact Mass347.91
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)c(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H7BrF2OS2/c13-12-4-3-11(18-12)10(16)6-17-7-1-2-8(14)9(15)5-7/h1-5H,6H2
InChIKeyYAKMJWVRRALJCC-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone (CID 43224922) is 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone is O=C(CSc1ccc(F)c(F)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone?
The InChIKey is YAKMJWVRRALJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2OS2/c13-12-4-3-11(18-12)10(16)6-17-7-1-2-8(14)9(15)5-7/h1-5H,6H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone?
1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone has a molecular weight of 349.22 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone is sourced from PubChem (CID 43224922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).