methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate
TL;DR: methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate (CAS 26155-65-7) is a chemical compound with molecular formula C12H14N2S2 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate
Also Known As: methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate, methyl N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamod, Methyl (2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazine-1-carbodithioate
| Molecular Formula | C12H14N2S2 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 3.3132 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05984 |
| Heavy Atoms | 16 |
| Complexity | 396.7396 |
Chemical Identifiers
| CAS Number | 26155-65-7 |
|---|---|
| SMILES | CC(=NNC(=S)SC)C=CC1=CC=CC=C1 |
Product Overview
methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate (CAS 26155-65-7), with molecular formula C12H14N2S2 and molecular weight 250.06 g/mol. IUPAC: methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate.
Chemical Property Profile of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate
Property Insights of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate
The XLogP value of 3.3132 indicates that methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate 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 methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate?
The CAS number of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate is 26155-65-7.
What is the molecular formula of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate?
The molecular formula of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate is C12H14N2S2.
What is the molecular weight of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate?
The molecular weight of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate is 250.06 g/mol.
Where can I buy methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate?
You can request a quote for methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.