(5-bromo-4-methylthiophen-2-yl)methanol

C6H7BrOS — CID 79997697

IUPAC(5-bromo-4-methylthiophen-2-yl)methanol
SMILESCc1cc(CO)sc1Br
InChIInChI=1S/C6H7BrOS/c1-4-2-5(3-8)9-6(4)7/h2,8H,3H2,1H3
InChIKeyJKASLWMMLFLTRA-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.31
Rot. Bonds1

About (5-bromo-4-methylthiophen-2-yl)methanol

(5-bromo-4-methylthiophen-2-yl)methanol (PubChem CID 79997697) has the molecular formula C6H7BrOS and a molecular weight of 207.09 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)methanol
PubChem CID79997697
Molecular FormulaC6H7BrOS
Molecular Weight207.09 g/mol
Exact Mass205.94
IUPAC Name(5-bromo-4-methylthiophen-2-yl)methanol
SMILESCc1cc(CO)sc1Br
InChIInChI=1S/C6H7BrOS/c1-4-2-5(3-8)9-6(4)7/h2,8H,3H2,1H3
InChIKeyJKASLWMMLFLTRA-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)methanol (CID 79997697) is (5-bromo-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)methanol is Cc1cc(CO)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)methanol?
The InChIKey is JKASLWMMLFLTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrOS/c1-4-2-5(3-8)9-6(4)7/h2,8H,3H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)methanol?
(5-bromo-4-methylthiophen-2-yl)methanol has a molecular weight of 207.09 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 79997697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).