(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol

C9H11BrO2S2 — CID 79962907

IUPAC(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol
SMILESOC(c1cscc1Br)C1CSCCO1
InChIInChI=1S/C9H11BrO2S2/c10-7-4-14-3-6(7)9(11)8-5-13-2-1-12-8/h3-4,8-9,11H,1-2,5H2
InChIKeyQZVIWLHOAFXHJF-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.68
Rot. Bonds2

About (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol

(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol (PubChem CID 79962907) has the molecular formula C9H11BrO2S2 and a molecular weight of 295.22 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol
PubChem CID79962907
Molecular FormulaC9H11BrO2S2
Molecular Weight295.22 g/mol
Exact Mass293.94
IUPAC Name(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol
SMILESOC(c1cscc1Br)C1CSCCO1
InChIInChI=1S/C9H11BrO2S2/c10-7-4-14-3-6(7)9(11)8-5-13-2-1-12-8/h3-4,8-9,11H,1-2,5H2
InChIKeyQZVIWLHOAFXHJF-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol (CID 79962907) is (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol is OC(c1cscc1Br)C1CSCCO1.
What is the InChIKey of (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is QZVIWLHOAFXHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2S2/c10-7-4-14-3-6(7)9(11)8-5-13-2-1-12-8/h3-4,8-9,11H,1-2,5H2.
What are the key properties of (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol?
(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 295.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 79962907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).