2,3,4-trimethyldibenzothiophene

C15H14S — CID 15818020

IUPAC2,3,4-trimethyldibenzothiophene
SMILESCc1cc2c(sc3ccccc32)c(C)c1C
InChIInChI=1S/C15H14S/c1-9-8-13-12-6-4-5-7-14(12)16-15(13)11(3)10(9)2/h4-8H,1-3H3
InChIKeyZKTNZFNAICHKAZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.98
Rot. Bonds

About 2,3,4-trimethyldibenzothiophene

2,3,4-trimethyldibenzothiophene (PubChem CID 15818020) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2,3,4-trimethyldibenzothiophene.

Molecular Properties

Compound Name2,3,4-trimethyldibenzothiophene
PubChem CID15818020
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name2,3,4-trimethyldibenzothiophene
SMILESCc1cc2c(sc3ccccc32)c(C)c1C
InChIInChI=1S/C15H14S/c1-9-8-13-12-6-4-5-7-14(12)16-15(13)11(3)10(9)2/h4-8H,1-3H3
InChIKeyZKTNZFNAICHKAZ-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4-trimethyldibenzothiophene 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

2,3,4,7,8-pentamethyldibenzothiophene
CID 170374433
1-(2,3-dimethyldibenzothiophen-4-yl)piperidine
CID 12861826
12,24-dimethyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 144723714
1-methyl-[1]benzothiolo[2,3-c]pyran-3-one
CID 14176043
12-methyl-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,19-nonaene-17,18-dione
CID 141183385
4-iodo-2-methyldibenzothiophene
CID 134396873
4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole
CID 167093521
3,4-dimethylthioxanthen-9-one
CID 13113961
bis(dibenzothiophene);ethane
CID 143921746
(3,4-dimethyl-9-oxothioxanthen-2-yl)methyl-trimethylazanium
CID 91587547
1-(4-methyldibenzothiophen-2-yl)piperidin-1-ium
CID 1398781
1-methyldibenzothiophene
CID 23839

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyldibenzothiophene?
The IUPAC name of 2,3,4-trimethyldibenzothiophene (CID 15818020) is 2,3,4-trimethyldibenzothiophene.
What is the SMILES notation for 2,3,4-trimethyldibenzothiophene?
The canonical SMILES for 2,3,4-trimethyldibenzothiophene is Cc1cc2c(sc3ccccc32)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyldibenzothiophene?
The InChIKey is ZKTNZFNAICHKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c1-9-8-13-12-6-4-5-7-14(12)16-15(13)11(3)10(9)2/h4-8H,1-3H3.
What are the key properties of 2,3,4-trimethyldibenzothiophene?
2,3,4-trimethyldibenzothiophene has a molecular weight of 226.34 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyldibenzothiophene is sourced from PubChem (CID 15818020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).