2-benzylxanthene-9-thione

C20H14OS — CID 88726523

IUPAC2-benzylxanthene-9-thione
SMILESS=c1c2ccccc2oc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C20H14OS/c22-20-16-8-4-5-9-18(16)21-19-11-10-15(13-17(19)20)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyCUZZQGRGJOVNKY-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.91
Rot. Bonds2

About 2-benzylxanthene-9-thione

2-benzylxanthene-9-thione (PubChem CID 88726523) has the molecular formula C20H14OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-benzylxanthene-9-thione.

Molecular Properties

Compound Name2-benzylxanthene-9-thione
PubChem CID88726523
Molecular FormulaC20H14OS
Molecular Weight302.40 g/mol
Exact Mass302.08
IUPAC Name2-benzylxanthene-9-thione
SMILESS=c1c2ccccc2oc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C20H14OS/c22-20-16-8-4-5-9-18(16)21-19-11-10-15(13-17(19)20)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyCUZZQGRGJOVNKY-UHFFFAOYSA-N
XLogP5.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-dodecylxanthene-9-thione
CID 57217776
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
2-benzyl-6-methyldibenzofuran
CID 155004540
2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran
CID 159538569
3-methylxanthene-9-thione
CID 57266652
6-benzyl-2-phenylchromen-4-one
CID 90747479
1-(9-sulfanylidenexanthen-2-yl)ethanone
CID 88754830
1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843134
2-dibenzofuran-2-ylethanol
CID 567048
7-benzyl-1,2-dimethoxyxanthen-9-one
CID 10882520
2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595781
3-dibenzofuran-2-ylpropanoic acid
CID 2728916

Frequently Asked Questions

What is the IUPAC name of 2-benzylxanthene-9-thione?
The IUPAC name of 2-benzylxanthene-9-thione (CID 88726523) is 2-benzylxanthene-9-thione.
What is the SMILES notation for 2-benzylxanthene-9-thione?
The canonical SMILES for 2-benzylxanthene-9-thione is S=c1c2ccccc2oc2ccc(Cc3ccccc3)cc12.
What is the InChIKey of 2-benzylxanthene-9-thione?
The InChIKey is CUZZQGRGJOVNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14OS/c22-20-16-8-4-5-9-18(16)21-19-11-10-15(13-17(19)20)12-14-6-2-1-3-7-14/h1-11,13H,12H2.
What are the key properties of 2-benzylxanthene-9-thione?
2-benzylxanthene-9-thione has a molecular weight of 302.40 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylxanthene-9-thione is sourced from PubChem (CID 88726523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).