2,3,4,7,8-pentamethyldibenzothiophene

C17H18S — CID 170374433

IUPAC2,3,4,7,8-pentamethyldibenzothiophene
SMILESCc1cc2sc3c(C)c(C)c(C)cc3c2cc1C
InChIInChI=1S/C17H18S/c1-9-6-14-15-7-11(3)12(4)13(5)17(15)18-16(14)8-10(9)2/h6-8H,1-5H3
InChIKeyJLSFBBFFRDNXJS-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.60
Rot. Bonds

About 2,3,4,7,8-pentamethyldibenzothiophene

2,3,4,7,8-pentamethyldibenzothiophene (PubChem CID 170374433) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2,3,4,7,8-pentamethyldibenzothiophene.

Molecular Properties

Compound Name2,3,4,7,8-pentamethyldibenzothiophene
PubChem CID170374433
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name2,3,4,7,8-pentamethyldibenzothiophene
SMILESCc1cc2sc3c(C)c(C)c(C)cc3c2cc1C
InChIInChI=1S/C17H18S/c1-9-6-14-15-7-11(3)12(4)13(5)17(15)18-16(14)8-10(9)2/h6-8H,1-5H3
InChIKeyJLSFBBFFRDNXJS-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,7,8-pentamethyldibenzothiophene 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 2,3,4,7,8-pentamethyldibenzothiophene?
The IUPAC name of 2,3,4,7,8-pentamethyldibenzothiophene (CID 170374433) is 2,3,4,7,8-pentamethyldibenzothiophene.
What is the SMILES notation for 2,3,4,7,8-pentamethyldibenzothiophene?
The canonical SMILES for 2,3,4,7,8-pentamethyldibenzothiophene is Cc1cc2sc3c(C)c(C)c(C)cc3c2cc1C.
What is the InChIKey of 2,3,4,7,8-pentamethyldibenzothiophene?
The InChIKey is JLSFBBFFRDNXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-9-6-14-15-7-11(3)12(4)13(5)17(15)18-16(14)8-10(9)2/h6-8H,1-5H3.
What are the key properties of 2,3,4,7,8-pentamethyldibenzothiophene?
2,3,4,7,8-pentamethyldibenzothiophene has a molecular weight of 254.40 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7,8-pentamethyldibenzothiophene is sourced from PubChem (CID 170374433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).