2-methyl-8-propyldibenzothiophene

C16H16S — CID 144955696

IUPAC2-methyl-8-propyldibenzothiophene
SMILESCCCc1ccc2sc3ccc(C)cc3c2c1
InChIInChI=1S/C16H16S/c1-3-4-12-6-8-16-14(10-12)13-9-11(2)5-7-15(13)17-16/h5-10H,3-4H2,1-2H3
InChIKeyNSESSPDVGCJJLE-UHFFFAOYSA-N
MW240.37 g/mol
LogP5.32
Rot. Bonds2

About 2-methyl-8-propyldibenzothiophene

2-methyl-8-propyldibenzothiophene (PubChem CID 144955696) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-8-propyldibenzothiophene.

Molecular Properties

Compound Name2-methyl-8-propyldibenzothiophene
PubChem CID144955696
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name2-methyl-8-propyldibenzothiophene
SMILESCCCc1ccc2sc3ccc(C)cc3c2c1
InChIInChI=1S/C16H16S/c1-3-4-12-6-8-16-14(10-12)13-9-11(2)5-7-15(13)17-16/h5-10H,3-4H2,1-2H3
InChIKeyNSESSPDVGCJJLE-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.37
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-8-[2-(6-methyldibenzothiophen-2-yl)ethyl]dibenzothiophene
CID 138662442
2-methyl-11-propyltriphenylene
CID 163874505
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
3-ethyl-7-propyldibenzothiophene
CID 135251711
3-methyl-5-propyl-1-benzothiophene-2-carbaldehyde
CID 142207600
7-methyl-19-octyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135243440
2-methyl-7-propylnaphthalene
CID 59912073
1-butyl-3,6-dimethyl-[1]benzothiolo[2,3-c]pyran-2-ium perchlorate
CID 12861796
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
9,23-dibutyl-5,19-dithiaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6(11),7,9,13,16,18(26),20(25),21,23,27-tridecaene
CID 58426688
2-methyl-7-propylanthracene-9,10-dione
CID 118026365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-propyldibenzothiophene?
The IUPAC name of 2-methyl-8-propyldibenzothiophene (CID 144955696) is 2-methyl-8-propyldibenzothiophene.
What is the SMILES notation for 2-methyl-8-propyldibenzothiophene?
The canonical SMILES for 2-methyl-8-propyldibenzothiophene is CCCc1ccc2sc3ccc(C)cc3c2c1.
What is the InChIKey of 2-methyl-8-propyldibenzothiophene?
The InChIKey is NSESSPDVGCJJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S/c1-3-4-12-6-8-16-14(10-12)13-9-11(2)5-7-15(13)17-16/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-8-propyldibenzothiophene?
2-methyl-8-propyldibenzothiophene has a molecular weight of 240.37 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-propyldibenzothiophene is sourced from PubChem (CID 144955696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).