(3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone

C10H6BrClO2S — CID 103407673

IUPAC(3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)c2occc2Br)c1Cl
InChIInChI=1S/C10H6BrClO2S/c1-5-4-15-10(7(5)12)8(13)9-6(11)2-3-14-9/h2-4H,1H3
InChIKeyVKEWUXYCESFKMP-UHFFFAOYSA-N
MW305.58 g/mol
LogP4.30
Rot. Bonds2

About (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone

(3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 103407673) has the molecular formula C10H6BrClO2S and a molecular weight of 305.58 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
PubChem CID103407673
Molecular FormulaC10H6BrClO2S
Molecular Weight305.58 g/mol
Exact Mass303.90
IUPAC Name(3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)c2occc2Br)c1Cl
InChIInChI=1S/C10H6BrClO2S/c1-5-4-15-10(7(5)12)8(13)9-6(11)2-3-14-9/h2-4H,1H3
InChIKeyVKEWUXYCESFKMP-UHFFFAOYSA-N
XLogP4.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105101678
(3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 114973321
(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone
CID 103408011
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 103400344
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
(3-bromofuran-2-yl)-(2-chlorophenyl)methanone
CID 63943016
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103407932
(3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 105101724
(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 105101696
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395
3-bromofuran-2-carbonyl bromide
CID 88622824

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone (CID 103407673) is (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)c2occc2Br)c1Cl.
What is the InChIKey of (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is VKEWUXYCESFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClO2S/c1-5-4-15-10(7(5)12)8(13)9-6(11)2-3-14-9/h2-4H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone?
(3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone has a molecular weight of 305.58 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 103407673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).