2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol

C9H12O2S — CID 103073671

IUPAC2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol
SMILESC=C(CS)COCc1ccco1
InChIInChI=1S/C9H12O2S/c1-8(7-12)5-10-6-9-3-2-4-11-9/h2-4,12H,1,5-7H2
InChIKeySCWDNYIAGDFDCJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.28
Rot. Bonds5

About 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol

2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol (PubChem CID 103073671) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol
PubChem CID103073671
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol
SMILESC=C(CS)COCc1ccco1
InChIInChI=1S/C9H12O2S/c1-8(7-12)5-10-6-9-3-2-4-11-9/h2-4,12H,1,5-7H2
InChIKeySCWDNYIAGDFDCJ-UHFFFAOYSA-N
XLogP2.28
TPSA22.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-ylmethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074355
N-tert-butyl-2-(furan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074352
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
2-(fluoromethoxymethyl)furan
CID 143116843
2-(furan-2-ylmethoxymethyl)furan;propane-1,2,3-triol
CID 174940429
2-(furan-2-ylmethyl)prop-2-en-1-amine
CID 117266490
furan-2-ylmethoxysilane
CID 130768813
furan-2-ylmethanethiol
CID 158949317
butane;ethane;2-(ethoxymethyl)furan
CID 143895142
3-(furan-2-ylmethoxy)propanoic acid
CID 24710839
methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
CID 79622612

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol?
The IUPAC name of 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol (CID 103073671) is 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol.
What is the SMILES notation for 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol?
The canonical SMILES for 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol is C=C(CS)COCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol?
The InChIKey is SCWDNYIAGDFDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-8(7-12)5-10-6-9-3-2-4-11-9/h2-4,12H,1,5-7H2.
What are the key properties of 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol?
2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol has a molecular weight of 184.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethoxymethyl)prop-2-ene-1-thiol is sourced from PubChem (CID 103073671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).