![[(2-Isothiocyanatoethyl)sulfanyl]benzene structure](/static/products/3875/38752-37-3.webp)
[(2-Isothiocyanatoethyl)sulfanyl]benzene
TL;DR: [(2-Isothiocyanatoethyl)sulfanyl]benzene (CAS 38752-37-3) is a chemical compound with molecular formula C9H9NS2 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanatoethylsulfanylbenzene
Also Known As: [(2-isothiocyanatoethyl)thio]benzene|[(2-isothiocyanatoethyl)sulfanyl]benzene|2-isothiocyanatoethylsulfanylbenzene|(2-ISOTHIOCYANATOETHYL)THIO]BENZENE|(2-isothiocyanatoethyl)(phenyl)sulfane|Benzene,[(2-isothiocyanatoethyl)thio]-|((2-isothiocyanatoethyl)sulfanyl)benzene|Isothiocyanicacid,2-(phenylthio)ethyl ester|835-686-8|RefChem:389748|EN300-13552
| Molecular Formula | C9H9NS2 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 2.8815 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.01764 |
| Heavy Atoms | 12 |
| Complexity | 265.11685 |
Chemical Identifiers
| CAS Number | 38752-37-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCN=C=S |
Product Overview
[(2-Isothiocyanatoethyl)sulfanyl]benzene (CAS 38752-37-3), with molecular formula C9H9NS2 and molecular weight 195.02 g/mol. IUPAC: 2-isothiocyanatoethylsulfanylbenzene.
Chemical Property Profile of [(2-Isothiocyanatoethyl)sulfanyl]benzene
Property Insights of [(2-Isothiocyanatoethyl)sulfanyl]benzene
The XLogP value of 2.8815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Isothiocyanatoethyl)sulfanyl]benzene. With a topological polar surface area (TPSA) of 12.36 Ų, [(2-Isothiocyanatoethyl)sulfanyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2-Isothiocyanatoethyl)sulfanyl]benzene 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 [(2-Isothiocyanatoethyl)sulfanyl]benzene?
The CAS number of [(2-Isothiocyanatoethyl)sulfanyl]benzene is 38752-37-3.
What is the molecular formula of [(2-Isothiocyanatoethyl)sulfanyl]benzene?
The molecular formula of [(2-Isothiocyanatoethyl)sulfanyl]benzene is C9H9NS2.
What is the molecular weight of [(2-Isothiocyanatoethyl)sulfanyl]benzene?
The molecular weight of [(2-Isothiocyanatoethyl)sulfanyl]benzene is 195.02 g/mol.
Where can I buy [(2-Isothiocyanatoethyl)sulfanyl]benzene?
You can request a quote for [(2-Isothiocyanatoethyl)sulfanyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Isothiocyanatoethyl)sulfanyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(2-Isothiocyanatoethyl)sulfanyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.