2-(furan-2-ylsulfanyl)acetic acid

C6H6O3S — CID 22006051

IUPAC2-(furan-2-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1ccco1
InChIInChI=1S/C6H6O3S/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H,7,8)
InChIKeyOEZADXUGYNMIGD-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.46
Rot. Bonds3

About 2-(furan-2-ylsulfanyl)acetic acid

2-(furan-2-ylsulfanyl)acetic acid (PubChem CID 22006051) has the molecular formula C6H6O3S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(furan-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(furan-2-ylsulfanyl)acetic acid
PubChem CID22006051
Molecular FormulaC6H6O3S
Molecular Weight158.18 g/mol
Exact Mass158.00
IUPAC Name2-(furan-2-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1ccco1
InChIInChI=1S/C6H6O3S/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H,7,8)
InChIKeyOEZADXUGYNMIGD-UHFFFAOYSA-N
XLogP1.46
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-(furan-2-yl) ethanethioate
CID 15389921
2-benzylsulfanylfuran
CID 12535616
2-[1-(furan-2-yl)ethylsulfanyl]acetic acid
CID 14625064
2-[[5-amino-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64572197
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 726831
2-(3-formylfuran-2-yl)sulfanylacetic acid
CID 87956606
2-[1-[1-(furan-2-yl)ethyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336616
2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 4713572
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
2-[4-[[4-(carboxymethylsulfanyl)phenyl]disulfanyl]phenyl]sulfanylacetic acid
CID 54542120
2-[[5-[2-(furan-2-yl)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391879
2-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylacetic acid
CID 71680534

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylsulfanyl)acetic acid?
The IUPAC name of 2-(furan-2-ylsulfanyl)acetic acid (CID 22006051) is 2-(furan-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-(furan-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2-(furan-2-ylsulfanyl)acetic acid is O=C(O)CSc1ccco1.
What is the InChIKey of 2-(furan-2-ylsulfanyl)acetic acid?
The InChIKey is OEZADXUGYNMIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H,7,8).
What are the key properties of 2-(furan-2-ylsulfanyl)acetic acid?
2-(furan-2-ylsulfanyl)acetic acid has a molecular weight of 158.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylsulfanyl)acetic acid is sourced from PubChem (CID 22006051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).