![1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE structure](/static/products/749/749261-40-3.png)
1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE
TL;DR: 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE (CAS 749261-40-3) is a chemical compound with molecular formula C10H11NOS and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S)-1-isothiocyanatoethyl]-4-methoxybenzene
Also Known As: 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE, (R)-(-)-1-(4-Methoxyphenyl)ethyl isothiocyanate, (S)-(+)-1-(4-Methoxyphenyl)ethyl isothiocyanate, Benzene,1-[(1S)-1-isothiocyanatoethyl]-4-methoxy-, Benzene, 1-[(1S)-1-isothiocyanatoethyl]-4-methoxy- (9CI)
| Molecular Formula | C10H11NOS |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | 2.859 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.05614 |
| Heavy Atoms | 13 |
| Complexity | 314.20157 |
Chemical Identifiers
| CAS Number | 749261-40-3 |
|---|---|
| SMILES | C[C@@H](C1=CC=C(C=C1)OC)N=C=S |
Product Overview
1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE (CAS 749261-40-3), with molecular formula C10H11NOS and molecular weight 193.06 g/mol. IUPAC: 1-[(1S)-1-isothiocyanatoethyl]-4-methoxybenzene.
Chemical Property Profile of 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE
Property Insights of 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE
The XLogP value of 2.859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE. With a topological polar surface area (TPSA) of 21.59 Ų, 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE has 0 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 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE?
The CAS number of 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE is 749261-40-3.
What is the molecular formula of 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE?
The molecular formula of 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE is C10H11NOS.
What is the molecular weight of 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE?
The molecular weight of 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE is 193.06 g/mol.
Where can I buy 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE?
You can request a quote for 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1S)-1-ISOTHIOCYANATOETHYL]-4-METHOXYBENZENE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.