5-fluoro-2-(4-sulfanylbut-1-enyl)phenol

C10H11FOS — CID 170477900

IUPAC5-fluoro-2-(4-sulfanylbut-1-enyl)phenol
SMILESOc1cc(F)ccc1C=CCCS
InChIInChI=1S/C10H11FOS/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h1,3-5,7,12-13H,2,6H2
InChIKeyCFJZRNOFCKVZIC-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.86
Rot. Bonds3

About 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol

5-fluoro-2-(4-sulfanylbut-1-enyl)phenol (PubChem CID 170477900) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(4-sulfanylbut-1-enyl)phenol
PubChem CID170477900
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name5-fluoro-2-(4-sulfanylbut-1-enyl)phenol
SMILESOc1cc(F)ccc1C=CCCS
InChIInChI=1S/C10H11FOS/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h1,3-5,7,12-13H,2,6H2
InChIKeyCFJZRNOFCKVZIC-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(aminomethyl)-4-fluorophenyl]but-3-ene-1-thiol
CID 170478306
2-(4-sulfanylbut-1-enyl)phenol
CID 170477733
4-(2,4,5-trifluorophenyl)but-3-ene-1-thiol
CID 170478114
3-(4-fluoro-2-hydroxyphenyl)prop-2-enal
CID 169458747
4-(4-sulfanylbut-1-enyl)-3-(trifluoromethyl)phenol
CID 170478887
4-(4-aminobut-1-enyl)benzene-1,3-diol
CID 170486543
4-(3-sulfanylprop-1-enyl)benzene-1,3-diol
CID 169454721
4-(4-aminobut-1-enyl)-2,3-difluorophenol
CID 170486884
4-fluoro-3-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478564
2-(4-sulfanylbut-1-enyl)benzenethiol
CID 170477712
5-fluoro-2-(2-methylprop-1-enyl)phenol
CID 125494528
3-(2-bromo-4-fluorophenyl)prop-2-ene-1-thiol
CID 169456209

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol?
The IUPAC name of 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol (CID 170477900) is 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol.
What is the SMILES notation for 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol?
The canonical SMILES for 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol is Oc1cc(F)ccc1C=CCCS.
What is the InChIKey of 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol?
The InChIKey is CFJZRNOFCKVZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h1,3-5,7,12-13H,2,6H2.
What are the key properties of 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol?
5-fluoro-2-(4-sulfanylbut-1-enyl)phenol has a molecular weight of 198.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-sulfanylbut-1-enyl)phenol is sourced from PubChem (CID 170477900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).