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[(4-Amino-3-ethylphenyl)sulfanyl]formonitrile
TL;DR: [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile (CAS 3703-45-5) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3-ethylphenyl) thiocyanate
Also Known As: [(4-amino-3-ethylphenyl)sulfanyl]formonitrile|4-amino-3-ethylphenyl thiocyanate|(4-amino-3-ethylphenyl) thiocyanate|NCGC00664684-01|MLS000770607|SMR000343860|EN300-07330
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.40438 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 314.79483 |
Chemical Identifiers
| CAS Number | 3703-45-5 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)SC#N)N |
Product Overview
[(4-Amino-3-ethylphenyl)sulfanyl]formonitrile (CAS 3703-45-5), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: (4-amino-3-ethylphenyl) thiocyanate.
Chemical Property Profile of [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile
Property Insights of [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile
The XLogP value of 2.40438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile has 1 hydrogen bond donor(s) and 3 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-Amino-3-ethylphenyl)sulfanyl]formonitrile?
The CAS number of [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile is 3703-45-5.
What is the molecular formula of [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile?
The molecular formula of [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile is C9H10N2S.
What is the molecular weight of [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile?
The molecular weight of [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile is 178.06 g/mol.
Where can I buy [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile?
You can request a quote for [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(4-Amino-3-ethylphenyl)sulfanyl]formonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.