3-iodo-2-[(E)-2-phenylethenyl]thiophene

C12H9IS — CID 135300234

IUPAC3-iodo-2-[(E)-2-phenylethenyl]thiophene
SMILESIc1ccsc1/C=C/c1ccccc1
InChIInChI=1S/C12H9IS/c13-11-8-9-14-12(11)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKeySXEMTGUADLHMHQ-VOTSOKGWSA-N
MW312.18 g/mol
LogP4.52
Rot. Bonds2

About 3-iodo-2-[(E)-2-phenylethenyl]thiophene

3-iodo-2-[(E)-2-phenylethenyl]thiophene (PubChem CID 135300234) has the molecular formula C12H9IS and a molecular weight of 312.18 g/mol. Its IUPAC name is 3-iodo-2-[(E)-2-phenylethenyl]thiophene.

Molecular Properties

Compound Name3-iodo-2-[(E)-2-phenylethenyl]thiophene
PubChem CID135300234
Molecular FormulaC12H9IS
Molecular Weight312.18 g/mol
Exact Mass311.95
IUPAC Name3-iodo-2-[(E)-2-phenylethenyl]thiophene
SMILESIc1ccsc1/C=C/c1ccccc1
InChIInChI=1S/C12H9IS/c13-11-8-9-14-12(11)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKeySXEMTGUADLHMHQ-VOTSOKGWSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-[(E)-2-phenylethenyl]thiophene?
The IUPAC name of 3-iodo-2-[(E)-2-phenylethenyl]thiophene (CID 135300234) is 3-iodo-2-[(E)-2-phenylethenyl]thiophene.
What is the SMILES notation for 3-iodo-2-[(E)-2-phenylethenyl]thiophene?
The canonical SMILES for 3-iodo-2-[(E)-2-phenylethenyl]thiophene is Ic1ccsc1/C=C/c1ccccc1.
What is the InChIKey of 3-iodo-2-[(E)-2-phenylethenyl]thiophene?
The InChIKey is SXEMTGUADLHMHQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H9IS/c13-11-8-9-14-12(11)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+.
What are the key properties of 3-iodo-2-[(E)-2-phenylethenyl]thiophene?
3-iodo-2-[(E)-2-phenylethenyl]thiophene has a molecular weight of 312.18 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-[(E)-2-phenylethenyl]thiophene is sourced from PubChem (CID 135300234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).