Ethyl isopropylidene(thiocarbazimidate)
TL;DR: Ethyl isopropylidene(thiocarbazimidate) (CAS 41208-12-2) is a chemical compound with molecular formula C6H13N3S and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N'-(propan-2-ylideneamino)carbamimidothioate
Also Known As: ethylisopropylidene, Ethyl isopropylidene(thiocarbazimidate), EINECS 255-265-7, 3-Ethyl-1-isopropylideneisothiosemicarbazide, 1-(Ethylthio)-N'-(isopropylideneamino)formamidine
| Molecular Formula | C6H13N3S |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 1.45 |
| Topological Polar Surface Area | 50.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.08302 |
| Heavy Atoms | 10 |
| Complexity | 147.07191 |
Chemical Identifiers
| CAS Number | 41208-12-2 |
|---|---|
| SMILES | CCS/C(=N/N=C(C)C)/N |
Product Overview
Ethyl isopropylidene(thiocarbazimidate) (CAS 41208-12-2), with molecular formula C6H13N3S and molecular weight 159.08 g/mol. IUPAC: ethyl N'-(propan-2-ylideneamino)carbamimidothioate.
Chemical Property Profile of Ethyl isopropylidene(thiocarbazimidate)
Property Insights of Ethyl isopropylidene(thiocarbazimidate)
The XLogP value of 1.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isopropylidene(thiocarbazimidate). With a topological polar surface area (TPSA) of 50.74 Ų, Ethyl isopropylidene(thiocarbazimidate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isopropylidene(thiocarbazimidate) 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 Ethyl isopropylidene(thiocarbazimidate)?
The CAS number of Ethyl isopropylidene(thiocarbazimidate) is 41208-12-2.
What is the molecular formula of Ethyl isopropylidene(thiocarbazimidate)?
The molecular formula of Ethyl isopropylidene(thiocarbazimidate) is C6H13N3S.
What is the molecular weight of Ethyl isopropylidene(thiocarbazimidate)?
The molecular weight of Ethyl isopropylidene(thiocarbazimidate) is 159.08 g/mol.
Where can I buy Ethyl isopropylidene(thiocarbazimidate)?
You can request a quote for Ethyl isopropylidene(thiocarbazimidate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl isopropylidene(thiocarbazimidate)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl isopropylidene(thiocarbazimidate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.