2-chloro-3,5-diiodo-1-benzothiophene

C8H3ClI2S — CID 130840891

IUPAC2-chloro-3,5-diiodo-1-benzothiophene
SMILESClc1sc2ccc(I)cc2c1I
InChIInChI=1S/C8H3ClI2S/c9-8-7(11)5-3-4(10)1-2-6(5)12-8/h1-3H
InChIKeyIHGRLXKRGCNVTM-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.76
Rot. Bonds

About 2-chloro-3,5-diiodo-1-benzothiophene

2-chloro-3,5-diiodo-1-benzothiophene (PubChem CID 130840891) has the molecular formula C8H3ClI2S and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-chloro-3,5-diiodo-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-3,5-diiodo-1-benzothiophene
PubChem CID130840891
Molecular FormulaC8H3ClI2S
Molecular Weight420.44 g/mol
Exact Mass419.77
IUPAC Name2-chloro-3,5-diiodo-1-benzothiophene
SMILESClc1sc2ccc(I)cc2c1I
InChIInChI=1S/C8H3ClI2S/c9-8-7(11)5-3-4(10)1-2-6(5)12-8/h1-3H
InChIKeyIHGRLXKRGCNVTM-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.76
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

2,3,5-triiodo-1-benzothiophene
CID 130941786
3-bromo-2-chloro-6-iodo-1-benzothiophene
CID 130941860
2-bromo-8-iododibenzothiophene
CID 90306270
2-chloro-3-iodo-1-benzothiophene-6-carbonitrile
CID 130826404
8-iodo-1-methyldibenzothiophene
CID 149218010
2-(chloromethyl)-3-iodo-1-benzothiophen-5-amine
CID 131190885
(5-iodo-3-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131219130
5-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
CID 131218628
1,3-dibromo-8-iododibenzothiophene
CID 129179057
2-(difluoromethyl)-5-iodo-1-benzothiophen-3-amine
CID 130884051
3-chloro-6-iodo-1-benzothiophen-2-ol
CID 131119412
3-iododibenzothiophene
CID 86150547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-diiodo-1-benzothiophene?
The IUPAC name of 2-chloro-3,5-diiodo-1-benzothiophene (CID 130840891) is 2-chloro-3,5-diiodo-1-benzothiophene.
What is the SMILES notation for 2-chloro-3,5-diiodo-1-benzothiophene?
The canonical SMILES for 2-chloro-3,5-diiodo-1-benzothiophene is Clc1sc2ccc(I)cc2c1I.
What is the InChIKey of 2-chloro-3,5-diiodo-1-benzothiophene?
The InChIKey is IHGRLXKRGCNVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClI2S/c9-8-7(11)5-3-4(10)1-2-6(5)12-8/h1-3H.
What are the key properties of 2-chloro-3,5-diiodo-1-benzothiophene?
2-chloro-3,5-diiodo-1-benzothiophene has a molecular weight of 420.44 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-diiodo-1-benzothiophene is sourced from PubChem (CID 130840891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).