9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole

C21H18ClNS — CID 67761667

IUPAC9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole
SMILESCSc1ccc(C)c2c3ccccc3n(Cc3cccc(Cl)c3)c12
InChIInChI=1S/C21H18ClNS/c1-14-10-11-19(24-2)21-20(14)17-8-3-4-9-18(17)23(21)13-15-6-5-7-16(22)12-15/h3-12H,13H2,1-2H3
InChIKeyGDTVDYTUXRSOSJ-UHFFFAOYSA-N
MW351.90 g/mol
LogP6.53
Rot. Bonds3

About 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole

9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole (PubChem CID 67761667) has the molecular formula C21H18ClNS and a molecular weight of 351.90 g/mol. Its IUPAC name is 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole.

Molecular Properties

Compound Name9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole
PubChem CID67761667
Molecular FormulaC21H18ClNS
Molecular Weight351.90 g/mol
Exact Mass351.08
IUPAC Name9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole
SMILESCSc1ccc(C)c2c3ccccc3n(Cc3cccc(Cl)c3)c12
InChIInChI=1S/C21H18ClNS/c1-14-10-11-19(24-2)21-20(14)17-8-3-4-9-18(17)23(21)13-15-6-5-7-16(22)12-15/h3-12H,13H2,1-2H3
InChIKeyGDTVDYTUXRSOSJ-UHFFFAOYSA-N
XLogP6.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.90
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole 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 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole?
The IUPAC name of 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole (CID 67761667) is 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole.
What is the SMILES notation for 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole?
The canonical SMILES for 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole is CSc1ccc(C)c2c3ccccc3n(Cc3cccc(Cl)c3)c12.
What is the InChIKey of 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole?
The InChIKey is GDTVDYTUXRSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNS/c1-14-10-11-19(24-2)21-20(14)17-8-3-4-9-18(17)23(21)13-15-6-5-7-16(22)12-15/h3-12H,13H2,1-2H3.
What are the key properties of 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole?
9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole has a molecular weight of 351.90 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chlorophenyl)methyl]-4-methyl-1-methylsulfanylcarbazole is sourced from PubChem (CID 67761667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).