9H-fluorene;sulfane;hydrate

C13H14OS — CID 159057499

IUPAC9H-fluorene;sulfane;hydrate
SMILESO.S.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.H2O.H2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;/h1-8H,9H2;2*1H2
InChIKeyWPEBSVHCCNGWJX-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.55
Rot. Bonds

About 9H-fluorene;sulfane;hydrate

9H-fluorene;sulfane;hydrate (PubChem CID 159057499) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 9H-fluorene;sulfane;hydrate.

Molecular Properties

Compound Name9H-fluorene;sulfane;hydrate
PubChem CID159057499
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name9H-fluorene;sulfane;hydrate
SMILESO.S.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.H2O.H2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;/h1-8H,9H2;2*1H2
InChIKeyWPEBSVHCCNGWJX-UHFFFAOYSA-N
XLogP2.55
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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chromium;9H-fluorene
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azane;9H-fluorene;hydrobromide
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ethene;9H-fluorene
CID 159544077
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;oxozirconium
CID 174355249
bis(9H-fluorene);azide
CID 22003430
dichlorotitanium;9H-fluorene
CID 174396064
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;sulfane;hydrate?
The IUPAC name of 9H-fluorene;sulfane;hydrate (CID 159057499) is 9H-fluorene;sulfane;hydrate.
What is the SMILES notation for 9H-fluorene;sulfane;hydrate?
The canonical SMILES for 9H-fluorene;sulfane;hydrate is O.S.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;sulfane;hydrate?
The InChIKey is WPEBSVHCCNGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.H2O.H2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;/h1-8H,9H2;2*1H2.
What are the key properties of 9H-fluorene;sulfane;hydrate?
9H-fluorene;sulfane;hydrate has a molecular weight of 218.32 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;sulfane;hydrate is sourced from PubChem (CID 159057499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).