2-(2-iodo-2-methylpropyl)dibenzothiophene

C16H15IS — CID 167162829

IUPAC2-(2-iodo-2-methylpropyl)dibenzothiophene
SMILESCC(C)(I)Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C16H15IS/c1-16(2,17)10-11-7-8-15-13(9-11)12-5-3-4-6-14(12)18-15/h3-9H,10H2,1-2H3
InChIKeyUKXYBKHVBXPHIC-UHFFFAOYSA-N
MW366.27 g/mol
LogP5.81
Rot. Bonds2

About 2-(2-iodo-2-methylpropyl)dibenzothiophene

2-(2-iodo-2-methylpropyl)dibenzothiophene (PubChem CID 167162829) has the molecular formula C16H15IS and a molecular weight of 366.27 g/mol. Its IUPAC name is 2-(2-iodo-2-methylpropyl)dibenzothiophene.

Molecular Properties

Compound Name2-(2-iodo-2-methylpropyl)dibenzothiophene
PubChem CID167162829
Molecular FormulaC16H15IS
Molecular Weight366.27 g/mol
Exact Mass365.99
IUPAC Name2-(2-iodo-2-methylpropyl)dibenzothiophene
SMILESCC(C)(I)Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C16H15IS/c1-16(2,17)10-11-7-8-15-13(9-11)12-5-3-4-6-14(12)18-15/h3-9H,10H2,1-2H3
InChIKeyUKXYBKHVBXPHIC-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.27
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(2-iodo-2-methylpropyl)dibenzothiophene 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-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989313
2-[(2-methylphenyl)methyl]dibenzothiophene
CID 135219412
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine
CID 20573249
3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine
CID 20572908
2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
CID 138496173
bis(dibenzothiophene);ethane
CID 143921746
10-[(3-methoxy-2,3-dimethylbutan-2-yl)oxymethyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 167032554
4,8-ditert-butyl-2-[2-(2-tert-butyldibenzothiophen-3-yl)-2-methylpropyl]dibenzothiophene
CID 170207752
chloromethane;dibenzothiophene;2,8-dibromodibenzothiophene;molecular bromine
CID 157372043
4-dibenzothiophen-2-ylbutanal
CID 89173289
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-2-methylpropyl)dibenzothiophene?
The IUPAC name of 2-(2-iodo-2-methylpropyl)dibenzothiophene (CID 167162829) is 2-(2-iodo-2-methylpropyl)dibenzothiophene.
What is the SMILES notation for 2-(2-iodo-2-methylpropyl)dibenzothiophene?
The canonical SMILES for 2-(2-iodo-2-methylpropyl)dibenzothiophene is CC(C)(I)Cc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-(2-iodo-2-methylpropyl)dibenzothiophene?
The InChIKey is UKXYBKHVBXPHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IS/c1-16(2,17)10-11-7-8-15-13(9-11)12-5-3-4-6-14(12)18-15/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-iodo-2-methylpropyl)dibenzothiophene?
2-(2-iodo-2-methylpropyl)dibenzothiophene has a molecular weight of 366.27 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-2-methylpropyl)dibenzothiophene is sourced from PubChem (CID 167162829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).