5-chloro-3-iodo-2-methylthiophene

C5H4ClIS — CID 10848839

IUPAC5-chloro-3-iodo-2-methylthiophene
SMILESCc1sc(Cl)cc1I
InChIInChI=1S/C5H4ClIS/c1-3-4(7)2-5(6)8-3/h2H,1H3
InChIKeyUBURVSTVPDWNJC-UHFFFAOYSA-N
MW258.51 g/mol
LogP3.31
Rot. Bonds

About 5-chloro-3-iodo-2-methylthiophene

5-chloro-3-iodo-2-methylthiophene (PubChem CID 10848839) has the molecular formula C5H4ClIS and a molecular weight of 258.51 g/mol. Its IUPAC name is 5-chloro-3-iodo-2-methylthiophene.

Molecular Properties

Compound Name5-chloro-3-iodo-2-methylthiophene
PubChem CID10848839
Molecular FormulaC5H4ClIS
Molecular Weight258.51 g/mol
Exact Mass257.88
IUPAC Name5-chloro-3-iodo-2-methylthiophene
SMILESCc1sc(Cl)cc1I
InChIInChI=1S/C5H4ClIS/c1-3-4(7)2-5(6)8-3/h2H,1H3
InChIKeyUBURVSTVPDWNJC-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.51
LogP ≤ 53.31
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 5-chloro-3-iodo-2-methylthiophene?
The IUPAC name of 5-chloro-3-iodo-2-methylthiophene (CID 10848839) is 5-chloro-3-iodo-2-methylthiophene.
What is the SMILES notation for 5-chloro-3-iodo-2-methylthiophene?
The canonical SMILES for 5-chloro-3-iodo-2-methylthiophene is Cc1sc(Cl)cc1I.
What is the InChIKey of 5-chloro-3-iodo-2-methylthiophene?
The InChIKey is UBURVSTVPDWNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClIS/c1-3-4(7)2-5(6)8-3/h2H,1H3.
What are the key properties of 5-chloro-3-iodo-2-methylthiophene?
5-chloro-3-iodo-2-methylthiophene has a molecular weight of 258.51 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-2-methylthiophene is sourced from PubChem (CID 10848839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).