2-[iodo(phenyl)methyl]thiophene

C11H9IS — CID 170552548

IUPAC2-[iodo(phenyl)methyl]thiophene
SMILESIC(c1ccccc1)c1cccs1
InChIInChI=1S/C11H9IS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H
InChIKeyBICUFQWSKGTVRG-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.27
Rot. Bonds2

About 2-[iodo(phenyl)methyl]thiophene

2-[iodo(phenyl)methyl]thiophene (PubChem CID 170552548) has the molecular formula C11H9IS and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-[iodo(phenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[iodo(phenyl)methyl]thiophene
PubChem CID170552548
Molecular FormulaC11H9IS
Molecular Weight300.16 g/mol
Exact Mass299.95
IUPAC Name2-[iodo(phenyl)methyl]thiophene
SMILESIC(c1ccccc1)c1cccs1
InChIInChI=1S/C11H9IS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H
InChIKeyBICUFQWSKGTVRG-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.27
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'}

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Related Compounds

2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene
CID 131857214
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
(1S)-N-[phenyl(pyridin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81388446
2-propan-2-ylthiophene
CID 178128598
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
2-[(1R)-1-iodopropyl]thiophene
CID 142234064
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
cumene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 158523249
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144

Frequently Asked Questions

What is the IUPAC name of 2-[iodo(phenyl)methyl]thiophene?
The IUPAC name of 2-[iodo(phenyl)methyl]thiophene (CID 170552548) is 2-[iodo(phenyl)methyl]thiophene.
What is the SMILES notation for 2-[iodo(phenyl)methyl]thiophene?
The canonical SMILES for 2-[iodo(phenyl)methyl]thiophene is IC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-[iodo(phenyl)methyl]thiophene?
The InChIKey is BICUFQWSKGTVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11H.
What are the key properties of 2-[iodo(phenyl)methyl]thiophene?
2-[iodo(phenyl)methyl]thiophene has a molecular weight of 300.16 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[iodo(phenyl)methyl]thiophene is sourced from PubChem (CID 170552548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).