sodium 2-(thiophen-2-ylmethyl)phenolate

C11H9NaOS — CID 101328659

IUPACsodium 2-(thiophen-2-ylmethyl)phenolate
SMILES[Na+].[O-]c1ccccc1Cc1cccs1
InChIInChI=1S/C11H10OS.Na/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10;/h1-7,12H,8H2;/q;+1/p-1
InChIKeyWDTHSJCGUOYCKN-UHFFFAOYSA-M
MW212.25 g/mol
LogP-0.58
Rot. Bonds2

About sodium 2-(thiophen-2-ylmethyl)phenolate

sodium 2-(thiophen-2-ylmethyl)phenolate (PubChem CID 101328659) has the molecular formula C11H9NaOS and a molecular weight of 212.25 g/mol. Its IUPAC name is sodium 2-(thiophen-2-ylmethyl)phenolate.

Molecular Properties

Compound Namesodium 2-(thiophen-2-ylmethyl)phenolate
PubChem CID101328659
Molecular FormulaC11H9NaOS
Molecular Weight212.25 g/mol
Exact Mass212.03
IUPAC Namesodium 2-(thiophen-2-ylmethyl)phenolate
SMILES[Na+].[O-]c1ccccc1Cc1cccs1
InChIInChI=1S/C11H10OS.Na/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10;/h1-7,12H,8H2;/q;+1/p-1
InChIKeyWDTHSJCGUOYCKN-UHFFFAOYSA-M
XLogP-0.58
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
2-[2-(thiophen-2-ylmethyl)phenyl]ethanol
CID 11252951
5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole
CID 141117900
2-[(2,3-dimethylphenyl)methyl]thiophene
CID 54195522
2-methyl-3-(thiophen-2-ylmethyl)aniline
CID 39240617
2-[(3-chloro-2-methylphenyl)methyl]thiophene
CID 174830599
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
2-methyl-3,4-dihydro-2H-pyrrole;2-(thiophen-2-ylmethyl)aniline;hydrochloride
CID 70531771
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
3-phenyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one
CID 14027438
5-(thiophen-2-ylmethyl)pyrimidine
CID 166530274
2-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 10355103

Frequently Asked Questions

What is the IUPAC name of sodium 2-(thiophen-2-ylmethyl)phenolate?
The IUPAC name of sodium 2-(thiophen-2-ylmethyl)phenolate (CID 101328659) is sodium 2-(thiophen-2-ylmethyl)phenolate.
What is the SMILES notation for sodium 2-(thiophen-2-ylmethyl)phenolate?
The canonical SMILES for sodium 2-(thiophen-2-ylmethyl)phenolate is [Na+].[O-]c1ccccc1Cc1cccs1.
What is the InChIKey of sodium 2-(thiophen-2-ylmethyl)phenolate?
The InChIKey is WDTHSJCGUOYCKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10OS.Na/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10;/h1-7,12H,8H2;/q;+1/p-1.
What are the key properties of sodium 2-(thiophen-2-ylmethyl)phenolate?
sodium 2-(thiophen-2-ylmethyl)phenolate has a molecular weight of 212.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(thiophen-2-ylmethyl)phenolate is sourced from PubChem (CID 101328659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).