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

C5H4Br2OS — CID 59355817

IUPAC(4,5-dibromothiophen-2-yl)methanol
SMILESOCc1cc(Br)c(Br)s1
InChIInChI=1S/C5H4Br2OS/c6-4-1-3(2-8)9-5(4)7/h1,8H,2H2
InChIKeyPEJZUWKPHCZNOX-UHFFFAOYSA-N
MW271.96 g/mol
LogP2.77
Rot. Bonds1

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

(4,5-dibromothiophen-2-yl)methanol (PubChem CID 59355817) has the molecular formula C5H4Br2OS and a molecular weight of 271.96 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)methanol
PubChem CID59355817
Molecular FormulaC5H4Br2OS
Molecular Weight271.96 g/mol
Exact Mass269.83
IUPAC Name(4,5-dibromothiophen-2-yl)methanol
SMILESOCc1cc(Br)c(Br)s1
InChIInChI=1S/C5H4Br2OS/c6-4-1-3(2-8)9-5(4)7/h1,8H,2H2
InChIKeyPEJZUWKPHCZNOX-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.96
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)methanol (CID 59355817) is (4,5-dibromothiophen-2-yl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)methanol is OCc1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)methanol?
The InChIKey is PEJZUWKPHCZNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2OS/c6-4-1-3(2-8)9-5(4)7/h1,8H,2H2.
What are the key properties of (4,5-dibromothiophen-2-yl)methanol?
(4,5-dibromothiophen-2-yl)methanol has a molecular weight of 271.96 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)methanol is sourced from PubChem (CID 59355817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).