6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene

C9H6ClIS2 — CID 131001321

IUPAC6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2c(I)cc(Cl)cc2s1
InChIInChI=1S/C9H6ClIS2/c1-12-9-4-6-7(11)2-5(10)3-8(6)13-9/h2-4H,1H3
InChIKeyAOZMFABWJVDPCB-UHFFFAOYSA-N
MW340.64 g/mol
LogP4.88
Rot. Bonds1

About 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene

6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene (PubChem CID 131001321) has the molecular formula C9H6ClIS2 and a molecular weight of 340.64 g/mol. Its IUPAC name is 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
PubChem CID131001321
Molecular FormulaC9H6ClIS2
Molecular Weight340.64 g/mol
Exact Mass339.86
IUPAC Name6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2c(I)cc(Cl)cc2s1
InChIInChI=1S/C9H6ClIS2/c1-12-9-4-6-7(11)2-5(10)3-8(6)13-9/h2-4H,1H3
InChIKeyAOZMFABWJVDPCB-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
CID 131218628
4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821281
4-bromo-5-chloro-2-methylsulfanyl-1-benzothiophene
CID 131145934
6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene
CID 130901229
5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821327
6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol
CID 131000518
2,6-dichloro-3-methylsulfanyl-1-benzothiophene
CID 131223527
5-(chloromethyl)-2-methylsulfanyl-1-benzothiophene-4-thiol
CID 131146672
3,6-dichloro-2-iodo-1-benzothiophene
CID 131138112
6-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
CID 130866263
4-bromo-7-fluoro-2-methylsulfanyl-1-benzothiophene
CID 131091429
2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
CID 131002405

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene?
The IUPAC name of 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene (CID 131001321) is 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene is CSc1cc2c(I)cc(Cl)cc2s1.
What is the InChIKey of 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene?
The InChIKey is AOZMFABWJVDPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIS2/c1-12-9-4-6-7(11)2-5(10)3-8(6)13-9/h2-4H,1H3.
What are the key properties of 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene?
6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene has a molecular weight of 340.64 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 131001321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).