6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene

C10H8ClIS — CID 131218792

IUPAC6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene
SMILESCc1c(CCl)cc(I)c2ccsc12
InChIInChI=1S/C10H8ClIS/c1-6-7(5-11)4-9(12)8-2-3-13-10(6)8/h2-4H,5H2,1H3
InChIKeyUHJKMVZRASXVRI-UHFFFAOYSA-N
MW322.60 g/mol
LogP4.55
Rot. Bonds1

About 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene

6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene (PubChem CID 131218792) has the molecular formula C10H8ClIS and a molecular weight of 322.60 g/mol. Its IUPAC name is 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene
PubChem CID131218792
Molecular FormulaC10H8ClIS
Molecular Weight322.60 g/mol
Exact Mass321.91
IUPAC Name6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene
SMILESCc1c(CCl)cc(I)c2ccsc12
InChIInChI=1S/C10H8ClIS/c1-6-7(5-11)4-9(12)8-2-3-13-10(6)8/h2-4H,5H2,1H3
InChIKeyUHJKMVZRASXVRI-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
CID 131122640
5-(chloromethyl)-7-iodo-6-methyl-1-benzothiophene
CID 131002195
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
6-iodo-7-methyl-1-benzothiophen-4-amine
CID 130870594
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
1-(chloromethyl)-3-iodo-2,5-dimethylbenzene
CID 171015760
6-(chloromethyl)-4-methoxy-5-methyl-1-benzothiophene
CID 130840117
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
CID 131014412
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
4,6-diiodo-1-benzothiophene-7-thiol
CID 130969520
4-(bromomethyl)-6,7-diiodo-1-benzothiophene
CID 131169476
7-(chloromethyl)-1-benzothiophene-4,5-diol
CID 131191604

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene?
The IUPAC name of 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene (CID 131218792) is 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene.
What is the SMILES notation for 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene?
The canonical SMILES for 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene is Cc1c(CCl)cc(I)c2ccsc12.
What is the InChIKey of 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene?
The InChIKey is UHJKMVZRASXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIS/c1-6-7(5-11)4-9(12)8-2-3-13-10(6)8/h2-4H,5H2,1H3.
What are the key properties of 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene?
6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene has a molecular weight of 322.60 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene is sourced from PubChem (CID 131218792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).