3,6-dichloro-2-iodo-1-benzothiophene

C8H3Cl2IS — CID 131138112

IUPAC3,6-dichloro-2-iodo-1-benzothiophene
SMILESClc1ccc2c(Cl)c(I)sc2c1
InChIInChI=1S/C8H3Cl2IS/c9-4-1-2-5-6(3-4)12-8(11)7(5)10/h1-3H
InChIKeyHVGACOLHFKCPNJ-UHFFFAOYSA-N
MW328.99 g/mol
LogP4.81
Rot. Bonds

About 3,6-dichloro-2-iodo-1-benzothiophene

3,6-dichloro-2-iodo-1-benzothiophene (PubChem CID 131138112) has the molecular formula C8H3Cl2IS and a molecular weight of 328.99 g/mol. Its IUPAC name is 3,6-dichloro-2-iodo-1-benzothiophene.

Molecular Properties

Compound Name3,6-dichloro-2-iodo-1-benzothiophene
PubChem CID131138112
Molecular FormulaC8H3Cl2IS
Molecular Weight328.99 g/mol
Exact Mass327.84
IUPAC Name3,6-dichloro-2-iodo-1-benzothiophene
SMILESClc1ccc2c(Cl)c(I)sc2c1
InChIInChI=1S/C8H3Cl2IS/c9-4-1-2-5-6(3-4)12-8(11)7(5)10/h1-3H
InChIKeyHVGACOLHFKCPNJ-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.99
LogP ≤ 54.81
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

3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
3-chloro-2-iodo-6-nitro-1-benzothiophene
CID 130884305
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
(3,6-dichloro-1-benzothiophen-2-yl)methanamine
CID 82363899
3,6-dichloro-N-(4-chlorophenyl)-1-benzothiophen-2-amine
CID 16639290
7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine
CID 138741814
6-chloro-3-methoxy-1-benzothiophene-2-thiol
CID 130870490
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3-chloro-6-iodo-1-benzothiophen-2-ol
CID 131119412
3,6-dichloro-1,2-benzothiazole
CID 10560097
3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 2214579
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-iodo-1-benzothiophene?
The IUPAC name of 3,6-dichloro-2-iodo-1-benzothiophene (CID 131138112) is 3,6-dichloro-2-iodo-1-benzothiophene.
What is the SMILES notation for 3,6-dichloro-2-iodo-1-benzothiophene?
The canonical SMILES for 3,6-dichloro-2-iodo-1-benzothiophene is Clc1ccc2c(Cl)c(I)sc2c1.
What is the InChIKey of 3,6-dichloro-2-iodo-1-benzothiophene?
The InChIKey is HVGACOLHFKCPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2IS/c9-4-1-2-5-6(3-4)12-8(11)7(5)10/h1-3H.
What are the key properties of 3,6-dichloro-2-iodo-1-benzothiophene?
3,6-dichloro-2-iodo-1-benzothiophene has a molecular weight of 328.99 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-iodo-1-benzothiophene is sourced from PubChem (CID 131138112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).