(4-bromothiophen-2-yl)methanol;ethane

C7H11BrOS — CID 163225247

IUPAC(4-bromothiophen-2-yl)methanol;ethane
SMILESCC.OCc1cc(Br)cs1
InChIInChI=1S/C5H5BrOS.C2H6/c6-4-1-5(2-7)8-3-4;1-2/h1,3,7H,2H2;1-2H3
InChIKeyBFVHMUVZUZXKFR-UHFFFAOYSA-N
MW223.13 g/mol
LogP3.03
Rot. Bonds1

About (4-bromothiophen-2-yl)methanol;ethane

(4-bromothiophen-2-yl)methanol;ethane (PubChem CID 163225247) has the molecular formula C7H11BrOS and a molecular weight of 223.13 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)methanol;ethane.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)methanol;ethane
PubChem CID163225247
Molecular FormulaC7H11BrOS
Molecular Weight223.13 g/mol
Exact Mass221.97
IUPAC Name(4-bromothiophen-2-yl)methanol;ethane
SMILESCC.OCc1cc(Br)cs1
InChIInChI=1S/C5H5BrOS.C2H6/c6-4-1-5(2-7)8-3-4;1-2/h1,3,7H,2H2;1-2H3
InChIKeyBFVHMUVZUZXKFR-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
(4-ethylthiophen-2-yl)methanol
CID 23261287
2-[(4-bromothiophen-2-yl)methyl]-4-methylpentan-1-ol
CID 66059169
[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
CID 113387842
2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 115133567
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
[5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 64591802
2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride
CID 132893007
[1-[(4-bromothiophen-2-yl)methyl]pyrrol-3-yl]methanol
CID 66399334
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508330
4-[(4-bromothiophen-2-yl)methyl]-2-ethyloxan-4-ol
CID 65149472

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)methanol;ethane?
The IUPAC name of (4-bromothiophen-2-yl)methanol;ethane (CID 163225247) is (4-bromothiophen-2-yl)methanol;ethane.
What is the SMILES notation for (4-bromothiophen-2-yl)methanol;ethane?
The canonical SMILES for (4-bromothiophen-2-yl)methanol;ethane is CC.OCc1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)methanol;ethane?
The InChIKey is BFVHMUVZUZXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrOS.C2H6/c6-4-1-5(2-7)8-3-4;1-2/h1,3,7H,2H2;1-2H3.
What are the key properties of (4-bromothiophen-2-yl)methanol;ethane?
(4-bromothiophen-2-yl)methanol;ethane has a molecular weight of 223.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)methanol;ethane is sourced from PubChem (CID 163225247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).