(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol

C9H5Br3OS2 — CID 80535532

IUPAC(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)s1)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H5Br3OS2/c10-4-3-6(15-9(4)12)8(13)5-1-2-7(11)14-5/h1-3,8,13H
InChIKeyKKZGOLHZPOVEHB-UHFFFAOYSA-N
MW432.98 g/mol
LogP5.18
Rot. Bonds2

About (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol

(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol (PubChem CID 80535532) has the molecular formula C9H5Br3OS2 and a molecular weight of 432.98 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
PubChem CID80535532
Molecular FormulaC9H5Br3OS2
Molecular Weight432.98 g/mol
Exact Mass429.73
IUPAC Name(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)s1)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H5Br3OS2/c10-4-3-6(15-9(4)12)8(13)5-1-2-7(11)14-5/h1-3,8,13H
InChIKeyKKZGOLHZPOVEHB-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.98
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533919
(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 115800624
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
CID 80535254
(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
CID 63750186
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol
CID 80537952
(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 80535252
(4,5-dibromothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 115836012
(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 80537480

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol (CID 80535532) is (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol is OC(c1ccc(Br)s1)c1cc(Br)c(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol?
The InChIKey is KKZGOLHZPOVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br3OS2/c10-4-3-6(15-9(4)12)8(13)5-1-2-7(11)14-5/h1-3,8,13H.
What are the key properties of (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol?
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol has a molecular weight of 432.98 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol is sourced from PubChem (CID 80535532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).