dibenzothiophene;methane

C14H16S — CID 162233710

IUPACdibenzothiophene;methane
SMILESC.C.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S.2CH4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;/h1-8H;2*1H4
InChIKeyZVTZVTWUXQJXFR-UHFFFAOYSA-N
MW216.35 g/mol
LogP5.33
Rot. Bonds

About dibenzothiophene;methane

dibenzothiophene;methane (PubChem CID 162233710) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is dibenzothiophene;methane.

Molecular Properties

Compound Namedibenzothiophene;methane
PubChem CID162233710
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Namedibenzothiophene;methane
SMILESC.C.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S.2CH4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;/h1-8H;2*1H4
InChIKeyZVTZVTWUXQJXFR-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.35
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze dibenzothiophene;methane 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

bis(dibenzothiophene);ethane
CID 143921746
dibenzothiophene;formaldehyde
CID 20556925
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
3-iododibenzothiophene
CID 86150547
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
CID 166787448
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
3-[10-(10-dibenzothiophen-3-ylanthracen-9-yl)anthracen-9-yl]dibenzothiophene
CID 89273646
[bromo(phenyl)phosphoryl]benzene;dibenzothiophene
CID 174853567
[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol
CID 135080491

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene;methane?
The IUPAC name of dibenzothiophene;methane (CID 162233710) is dibenzothiophene;methane.
What is the SMILES notation for dibenzothiophene;methane?
The canonical SMILES for dibenzothiophene;methane is C.C.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzothiophene;methane?
The InChIKey is ZVTZVTWUXQJXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S.2CH4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;;/h1-8H;2*1H4.
What are the key properties of dibenzothiophene;methane?
dibenzothiophene;methane has a molecular weight of 216.35 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene;methane is sourced from PubChem (CID 162233710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).