2-tert-butyl-3-chloro-5-iodothiophene

C8H10ClIS — CID 146379622

IUPAC2-tert-butyl-3-chloro-5-iodothiophene
SMILESCC(C)(C)c1sc(I)cc1Cl
InChIInChI=1S/C8H10ClIS/c1-8(2,3)7-5(9)4-6(10)11-7/h4H,1-3H3
InChIKeyJNOYBILBODJVAK-UHFFFAOYSA-N
MW300.59 g/mol
LogP4.30
Rot. Bonds

About 2-tert-butyl-3-chloro-5-iodothiophene

2-tert-butyl-3-chloro-5-iodothiophene (PubChem CID 146379622) has the molecular formula C8H10ClIS and a molecular weight of 300.59 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-5-iodothiophene.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-5-iodothiophene
PubChem CID146379622
Molecular FormulaC8H10ClIS
Molecular Weight300.59 g/mol
Exact Mass299.92
IUPAC Name2-tert-butyl-3-chloro-5-iodothiophene
SMILESCC(C)(C)c1sc(I)cc1Cl
InChIInChI=1S/C8H10ClIS/c1-8(2,3)7-5(9)4-6(10)11-7/h4H,1-3H3
InChIKeyJNOYBILBODJVAK-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene
CID 71697732
5-tert-butyl-3-chloro-2-methylthiophene
CID 118581553
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
1,3-ditert-butyl-2-chloro-5-iodobenzene
CID 12858527
2-chloro-N,5-diiodo-N-methylthiophen-3-amine
CID 163526259
2-tert-butyl-3,5-difluorothiophene
CID 146378275
4-chloro-5-(2-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 70069169
3-tert-butyl-1,2,4,5-tetrachlorobenzene
CID 59752465
(7-chloro-2-iodo-1-benzothiophen-4-yl)methanol
CID 131053981
2-chloro-5-iodo-3-(methoxymethyl)thiophene
CID 137491029
2-tert-butyl-6-chloro-1-benzothiophene
CID 20747385
2-tert-butyl-3-ethyl-1-benzothiophene
CID 20751467

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-5-iodothiophene?
The IUPAC name of 2-tert-butyl-3-chloro-5-iodothiophene (CID 146379622) is 2-tert-butyl-3-chloro-5-iodothiophene.
What is the SMILES notation for 2-tert-butyl-3-chloro-5-iodothiophene?
The canonical SMILES for 2-tert-butyl-3-chloro-5-iodothiophene is CC(C)(C)c1sc(I)cc1Cl.
What is the InChIKey of 2-tert-butyl-3-chloro-5-iodothiophene?
The InChIKey is JNOYBILBODJVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClIS/c1-8(2,3)7-5(9)4-6(10)11-7/h4H,1-3H3.
What are the key properties of 2-tert-butyl-3-chloro-5-iodothiophene?
2-tert-butyl-3-chloro-5-iodothiophene has a molecular weight of 300.59 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-5-iodothiophene is sourced from PubChem (CID 146379622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).