2-[1-(furan-2-yl)ethylsulfanyl]acetic acid

C8H10O3S — CID 14625064

IUPAC2-[1-(furan-2-yl)ethylsulfanyl]acetic acid
SMILESCC(SCC(=O)O)c1ccco1
InChIInChI=1S/C8H10O3S/c1-6(12-5-8(9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10)
InChIKeyUCLUZOVGGUOHKB-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.16
Rot. Bonds4

About 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid

2-[1-(furan-2-yl)ethylsulfanyl]acetic acid (PubChem CID 14625064) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethylsulfanyl]acetic acid
PubChem CID14625064
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name2-[1-(furan-2-yl)ethylsulfanyl]acetic acid
SMILESCC(SCC(=O)O)c1ccco1
InChIInChI=1S/C8H10O3S/c1-6(12-5-8(9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10)
InChIKeyUCLUZOVGGUOHKB-UHFFFAOYSA-N
XLogP2.16
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(furan-2-yl)-3-(4-hydroxyphenyl)-3-oxopropyl]sulfanylacetic acid
CID 46910822
2-[(S)-furan-2-yl-(2-methoxyanilino)methyl]sulfanylacetic acid
CID 51567261
2-[3-(2-bromophenyl)-1-(furan-2-yl)-3-oxopropyl]sulfanylacetic acid
CID 46910820
2-(furan-2-ylsulfanyl)acetic acid
CID 22006051
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
2-(furan-2-yl)propanamide;hydrochloride
CID 69414482
2-[1-[1-(furan-2-yl)ethyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336616
2-[[5-cyclopropyl-4-[1-(furan-2-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43535809
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
(3R)-3-(butylsulfanylcarbonylamino)-3-(furan-2-yl)propanoic acid
CID 143634398

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid?
The IUPAC name of 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid (CID 14625064) is 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid is CC(SCC(=O)O)c1ccco1.
What is the InChIKey of 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid?
The InChIKey is UCLUZOVGGUOHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-6(12-5-8(9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10).
What are the key properties of 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid?
2-[1-(furan-2-yl)ethylsulfanyl]acetic acid has a molecular weight of 186.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethylsulfanyl]acetic acid is sourced from PubChem (CID 14625064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).