2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan

C9H5Br2ClOS — CID 61085233

IUPAC2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan
SMILESClC(c1ccco1)c1cc(Br)sc1Br
InChIInChI=1S/C9H5Br2ClOS/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h1-4,8H
InChIKeySMGMVAYOMNYSHM-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.19
Rot. Bonds2

About 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan

2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan (PubChem CID 61085233) has the molecular formula C9H5Br2ClOS and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan.

Molecular Properties

Compound Name2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan
PubChem CID61085233
Molecular FormulaC9H5Br2ClOS
Molecular Weight356.47 g/mol
Exact Mass353.81
IUPAC Name2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan
SMILESClC(c1ccco1)c1cc(Br)sc1Br
InChIInChI=1S/C9H5Br2ClOS/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h1-4,8H
InChIKeySMGMVAYOMNYSHM-UHFFFAOYSA-N
XLogP5.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan?
The IUPAC name of 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan (CID 61085233) is 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan.
What is the SMILES notation for 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan?
The canonical SMILES for 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan is ClC(c1ccco1)c1cc(Br)sc1Br.
What is the InChIKey of 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan?
The InChIKey is SMGMVAYOMNYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2ClOS/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h1-4,8H.
What are the key properties of 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan?
2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan has a molecular weight of 356.47 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,5-dibromothiophen-3-yl)methyl]furan is sourced from PubChem (CID 61085233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).