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4-碘代苯并[b]噻吩-2-甲脒
TL;DR: 4-碘代苯并[b]噻吩-2-甲脒 (CAS 13922-04-8) is a chemical compound with molecular formula C9H8IN2S+ and molecular weight 302.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-碘代苯并[b]噻吩-2-甲脒
[amino-(4-iodo-1-benzothiophen-2-yl)methylidene]azanium
Also Known As: 4-iodobenzo[b]thiophene-2-carboxamidine, 4-iodobenzo(b)thiophene-2-carboxamidine, 4-iodobenzo[b]thiophene 2-carboxamidine, amino(4-iodo-1-benzothiophen-2-yl)methaniminium, [amino(4-iodo-1-benzothiophen-2-yl)methylidene]azanium
| Molecular Formula | C9H8IN2S+ |
|---|---|
| Molecular Weight | 302.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.94528 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 13922-04-8 |
|---|---|
| SMILES | C1=CC2=C(C=C(S2)C(=[NH2+])N)C(=C1)I |
| InChIKey | YERQOXAYAFWFEJ-UHFFFAOYSA-O |
Product Overview
4-碘代苯并[b]噻吩-2-甲脒 (CAS 13922-04-8), with molecular formula C9H8IN2S+ and molecular weight 302.95 g/mol. IUPAC: [amino-(4-iodo-1-benzothiophen-2-yl)methylidene]azanium.
Chemical Property Profile of 4-碘代苯并[b]噻吩-2-甲脒
Property Insights of 4-碘代苯并[b]噻吩-2-甲脒
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-碘代苯并[b]噻吩-2-甲脒. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-碘代苯并[b]噻吩-2-甲脒. Following Lipinski's Rule of Five, 4-碘代苯并[b]噻吩-2-甲脒 has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-碘代苯并[b]噻吩-2-甲脒?
The CAS number of 4-碘代苯并[b]噻吩-2-甲脒 is 13922-04-8.
What is the molecular formula of 4-碘代苯并[b]噻吩-2-甲脒?
The molecular formula of 4-碘代苯并[b]噻吩-2-甲脒 is C9H8IN2S+.
What is the molecular weight of 4-碘代苯并[b]噻吩-2-甲脒?
The molecular weight of 4-碘代苯并[b]噻吩-2-甲脒 is 302.95 g/mol.
Where can I buy 4-碘代苯并[b]噻吩-2-甲脒?
You can request a quote for 4-碘代苯并[b]噻吩-2-甲脒 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-碘代苯并[b]噻吩-2-甲脒?
Yes, KEHONG BIO provides custom synthesis services for 4-碘代苯并[b]噻吩-2-甲脒 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.