1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene

C19H12Cl2OS — CID 174968383

IUPAC1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene
SMILESClc1cccc(Sc2cccc3c2Cc2ccccc2O3)c1Cl
InChIInChI=1S/C19H12Cl2OS/c20-14-6-3-10-18(19(14)21)23-17-9-4-8-16-13(17)11-12-5-1-2-7-15(12)22-16/h1-10H,11H2
InChIKeyMQOAFIBNGFLJCB-UHFFFAOYSA-N
MW359.28 g/mol
LogP6.84
Rot. Bonds2

About 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene

1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene (PubChem CID 174968383) has the molecular formula C19H12Cl2OS and a molecular weight of 359.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene
PubChem CID174968383
Molecular FormulaC19H12Cl2OS
Molecular Weight359.28 g/mol
Exact Mass358.00
IUPAC Name1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene
SMILESClc1cccc(Sc2cccc3c2Cc2ccccc2O3)c1Cl
InChIInChI=1S/C19H12Cl2OS/c20-14-6-3-10-18(19(14)21)23-17-9-4-8-16-13(17)11-12-5-1-2-7-15(12)22-16/h1-10H,11H2
InChIKeyMQOAFIBNGFLJCB-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.28
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene?
The IUPAC name of 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene (CID 174968383) is 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene.
What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene?
The canonical SMILES for 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene is Clc1cccc(Sc2cccc3c2Cc2ccccc2O3)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene?
The InChIKey is MQOAFIBNGFLJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2OS/c20-14-6-3-10-18(19(14)21)23-17-9-4-8-16-13(17)11-12-5-1-2-7-15(12)22-16/h1-10H,11H2.
What are the key properties of 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene?
1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene has a molecular weight of 359.28 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene is sourced from PubChem (CID 174968383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).