2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid

C15H16O2S2 — CID 64926971

IUPAC2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid
SMILESCCc1ccc(CSc2ccc(CC(=O)O)cc2)s1
InChIInChI=1S/C15H16O2S2/c1-2-12-7-8-14(19-12)10-18-13-5-3-11(4-6-13)9-15(16)17/h3-8H,2,9-10H2,1H3,(H,16,17)
InChIKeyYAUWVDCIMFWMTN-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.23
Rot. Bonds6

About 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid

2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid (PubChem CID 64926971) has the molecular formula C15H16O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid
PubChem CID64926971
Molecular FormulaC15H16O2S2
Molecular Weight292.43 g/mol
Exact Mass292.06
IUPAC Name2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid
SMILESCCc1ccc(CSc2ccc(CC(=O)O)cc2)s1
InChIInChI=1S/C15H16O2S2/c1-2-12-7-8-14(19-12)10-18-13-5-3-11(4-6-13)9-15(16)17/h3-8H,2,9-10H2,1H3,(H,16,17)
InChIKeyYAUWVDCIMFWMTN-UHFFFAOYSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-ethylthiophen-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79150186
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879301
2-(4-icosylsulfanylphenyl)acetic acid
CID 139754603
2-[4-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]acetic acid
CID 64928941
2-(2-ethyl-1-benzothiophen-6-yl)acetic acid
CID 84685867
1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
CID 62622317
2-[4-(3-ethoxypropylsulfanyl)phenyl]acetic acid
CID 65176720
5-[(5-ethylthiophen-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302216
methyl 2-amino-5-[(4-ethylphenyl)sulfanylmethyl]thiophene-3-carboxylate
CID 72705563
2-[3-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenyl]acetic acid
CID 22246758
2-[4-(2-phenylethylsulfanyl)phenyl]acetic acid
CID 64926976
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 114967820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid (CID 64926971) is 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid is CCc1ccc(CSc2ccc(CC(=O)O)cc2)s1.
What is the InChIKey of 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid?
The InChIKey is YAUWVDCIMFWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S2/c1-2-12-7-8-14(19-12)10-18-13-5-3-11(4-6-13)9-15(16)17/h3-8H,2,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid?
2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid has a molecular weight of 292.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid is sourced from PubChem (CID 64926971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).