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N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide structure
Fine Chemical

N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide

TL;DR: N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide (CAS 326873-56-7) is a chemical compound with molecular formula C18H12INOS2 and molecular weight 448.9405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-(4-iodo-3-methylphenyl)thieno[3,2-b][1]benzothiole-2-carboxamide

Also Known As: N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide, N-(4-iodo-3-methylphenyl)thieno[3,2-b][1]benzothiole-2-carboxamide, N-(4-iodo-3-methylphenyl)thieno[3,2-b][1]benzothiophene-2-carboxamide

CAS Number
326873-56-7
Molecular Formula
C18H12INOS2
Molecular Weight
448.9405 g/mol
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Technical Specifications

Molecular FormulaC18H12INOS2
Molecular Weight448.9405 g/mol
XLogP6.2
Topological Polar Surface Area (TPSA)85.6 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds2
Exact Mass448.9405 Da
Heavy Atoms23
Complexity462.0
SMILESCC1=C(C=CC(=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3)I
InChIKeyAHTVFRQPHNLBTN-UHFFFAOYSA-N

Chemical Property Profile of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide

XLogP
6.2
TPSA (Topological Polar Surface Area)
85.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
23
Complexity
462.0
Exact Mass
448.9405
Monoisotopic Mass
448.9405
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide

The XLogP value of 6.2 indicates that N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide?

The CAS number of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide is 326873-56-7.

What is the molecular formula of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide?

The molecular formula of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide is C18H12INOS2.

What is the molecular weight of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide?

The molecular weight of N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide is 448.9405 g/mol.

Where can I buy N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide?

You can request a quote for N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide?

Yes, CoreyChem provides custom synthesis services for N-(4-iodo-3-methylphenyl)benzo[b]thieno[2,3-d]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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