1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol

C14H11ClO2S — CID 68533853

IUPAC1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol
SMILESCc1cc(Cl)c2c(c1O)S(=O)c1ccccc1C2
InChIInChI=1S/C14H11ClO2S/c1-8-6-11(15)10-7-9-4-2-3-5-12(9)18(17)14(10)13(8)16/h2-6,16H,7H2,1H3
InChIKeyKMMKZQNTQWKQCH-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.42
Rot. Bonds

About 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol

1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol (PubChem CID 68533853) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol.

Molecular Properties

Compound Name1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol
PubChem CID68533853
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol
SMILESCc1cc(Cl)c2c(c1O)S(=O)c1ccccc1C2
InChIInChI=1S/C14H11ClO2S/c1-8-6-11(15)10-7-9-4-2-3-5-12(9)18(17)14(10)13(8)16/h2-6,16H,7H2,1H3
InChIKeyKMMKZQNTQWKQCH-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol 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-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol?
The IUPAC name of 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol (CID 68533853) is 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol.
What is the SMILES notation for 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol?
The canonical SMILES for 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol is Cc1cc(Cl)c2c(c1O)S(=O)c1ccccc1C2.
What is the InChIKey of 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol?
The InChIKey is KMMKZQNTQWKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S/c1-8-6-11(15)10-7-9-4-2-3-5-12(9)18(17)14(10)13(8)16/h2-6,16H,7H2,1H3.
What are the key properties of 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol?
1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol has a molecular weight of 278.76 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-10-oxo-9H-thioxanthen-4-ol is sourced from PubChem (CID 68533853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).