2,4-dichloroxanthene-9-thione

C13H6Cl2OS — CID 57256472

IUPAC2,4-dichloroxanthene-9-thione
SMILESS=c1c2ccccc2oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C13H6Cl2OS/c14-7-5-9-12(10(15)6-7)16-11-4-2-1-3-8(11)13(9)17/h1-6H
InChIKeyUFRJRSGSWAENDN-UHFFFAOYSA-N
MW281.16 g/mol
LogP5.62
Rot. Bonds

About 2,4-dichloroxanthene-9-thione

2,4-dichloroxanthene-9-thione (PubChem CID 57256472) has the molecular formula C13H6Cl2OS and a molecular weight of 281.16 g/mol. Its IUPAC name is 2,4-dichloroxanthene-9-thione.

Molecular Properties

Compound Name2,4-dichloroxanthene-9-thione
PubChem CID57256472
Molecular FormulaC13H6Cl2OS
Molecular Weight281.16 g/mol
Exact Mass279.95
IUPAC Name2,4-dichloroxanthene-9-thione
SMILESS=c1c2ccccc2oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C13H6Cl2OS/c14-7-5-9-12(10(15)6-7)16-11-4-2-1-3-8(11)13(9)17/h1-6H
InChIKeyUFRJRSGSWAENDN-UHFFFAOYSA-N
XLogP5.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.16
LogP ≤ 55.62
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'}

Analyze 2,4-dichloroxanthene-9-thione 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

4-chlorodibenzofuran-2-ol
CID 170647423
CID 174082898
CID 174082898
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
2-(6,8-dichlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 137496487
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
3-methylxanthene-9-thione
CID 57266652
17-chloro-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 146616841
ethyl 3-chloro-9-sulfanylidenexanthene-1-carboxylate
CID 57023421
16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 146441792
3-bromo-4-chlorochromene-2-thione
CID 134912219
2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167123429

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloroxanthene-9-thione?
The IUPAC name of 2,4-dichloroxanthene-9-thione (CID 57256472) is 2,4-dichloroxanthene-9-thione.
What is the SMILES notation for 2,4-dichloroxanthene-9-thione?
The canonical SMILES for 2,4-dichloroxanthene-9-thione is S=c1c2ccccc2oc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 2,4-dichloroxanthene-9-thione?
The InChIKey is UFRJRSGSWAENDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2OS/c14-7-5-9-12(10(15)6-7)16-11-4-2-1-3-8(11)13(9)17/h1-6H.
What are the key properties of 2,4-dichloroxanthene-9-thione?
2,4-dichloroxanthene-9-thione has a molecular weight of 281.16 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloroxanthene-9-thione is sourced from PubChem (CID 57256472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).