2-(4-sulfanylbut-1-enyl)fluoren-9-one

C17H14OS — CID 170479323

IUPAC2-(4-sulfanylbut-1-enyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C=CCCS)cc21
InChIInChI=1S/C17H14OS/c18-17-15-7-2-1-6-13(15)14-9-8-12(11-16(14)17)5-3-4-10-19/h1-3,5-9,11,19H,4,10H2
InChIKeyHMBKBNOPOZCFSQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.23
Rot. Bonds3

About 2-(4-sulfanylbut-1-enyl)fluoren-9-one

2-(4-sulfanylbut-1-enyl)fluoren-9-one (PubChem CID 170479323) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(4-sulfanylbut-1-enyl)fluoren-9-one.

Molecular Properties

Compound Name2-(4-sulfanylbut-1-enyl)fluoren-9-one
PubChem CID170479323
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name2-(4-sulfanylbut-1-enyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C=CCCS)cc21
InChIInChI=1S/C17H14OS/c18-17-15-7-2-1-6-13(15)14-9-8-12(11-16(14)17)5-3-4-10-19/h1-3,5-9,11,19H,4,10H2
InChIKeyHMBKBNOPOZCFSQ-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-sulfanylbut-1-enyl)fluoren-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(12-sulfanyldodec-1-enyl)anthracene-9,10-dione
CID 71375283
2-(4-aminobut-1-enyl)fluoren-9-one
CID 170487895
2-(4-hydroxybut-1-enyl)fluoren-9-one
CID 170477537
3-(3-bromoprop-1-enyl)phenanthrene-9,10-dione
CID 169476439
5-(4-sulfanylbut-1-enyl)-3H-2-benzofuran-1-one
CID 170478489
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708
tert-butyl N-[4-(9,10-dioxophenanthren-3-yl)but-3-enyl]carbamate
CID 170491480
4-(3-methylsulfonylphenyl)but-3-ene-1-thiol
CID 170478553
4-(3-bromophenyl)but-3-ene-1-thiol
CID 170479347
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfanylbut-1-enyl)fluoren-9-one?
The IUPAC name of 2-(4-sulfanylbut-1-enyl)fluoren-9-one (CID 170479323) is 2-(4-sulfanylbut-1-enyl)fluoren-9-one.
What is the SMILES notation for 2-(4-sulfanylbut-1-enyl)fluoren-9-one?
The canonical SMILES for 2-(4-sulfanylbut-1-enyl)fluoren-9-one is O=C1c2ccccc2-c2ccc(C=CCCS)cc21.
What is the InChIKey of 2-(4-sulfanylbut-1-enyl)fluoren-9-one?
The InChIKey is HMBKBNOPOZCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c18-17-15-7-2-1-6-13(15)14-9-8-12(11-16(14)17)5-3-4-10-19/h1-3,5-9,11,19H,4,10H2.
What are the key properties of 2-(4-sulfanylbut-1-enyl)fluoren-9-one?
2-(4-sulfanylbut-1-enyl)fluoren-9-one has a molecular weight of 266.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfanylbut-1-enyl)fluoren-9-one is sourced from PubChem (CID 170479323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).