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Benzene, [[1-(phenylmethylene)propyl]thio]-
TL;DR: Benzene, [[1-(phenylmethylene)propyl]thio]- (CAS 61173-91-9) is a chemical compound with molecular formula C16H16S and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylbut-1-en-2-ylsulfanylbenzene
Also Known As: 1-Phenyl-2-phenylthiobut-1-en, 2-phenylsulfanylbut-1-enylbenzene, 1-phenylbut-1-en-2-ylsulfanylbenzene, Benzene, [[1-(phenylmethylene)propyl]thio]-, [(1-Phenylbut-1-en-2-yl)sulfanyl]benzene
| Molecular Formula | C16H16S |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 5.2298 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.09727 |
| Heavy Atoms | 17 |
| Complexity | 471.39307 |
Chemical Identifiers
| CAS Number | 61173-91-9 |
|---|---|
| SMILES | CCC(=CC1=CC=CC=C1)SC2=CC=CC=C2 |
Product Overview
Benzene, [[1-(phenylmethylene)propyl]thio]- (CAS 61173-91-9), with molecular formula C16H16S and molecular weight 240.10 g/mol. IUPAC: 1-phenylbut-1-en-2-ylsulfanylbenzene.
Chemical Property Profile of Benzene, [[1-(phenylmethylene)propyl]thio]-
Property Insights of Benzene, [[1-(phenylmethylene)propyl]thio]-
The XLogP value of 5.2298 indicates that Benzene, [[1-(phenylmethylene)propyl]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, [[1-(phenylmethylene)propyl]thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [[1-(phenylmethylene)propyl]thio]- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, [[1-(phenylmethylene)propyl]thio]-?
The CAS number of Benzene, [[1-(phenylmethylene)propyl]thio]- is 61173-91-9.
What is the molecular formula of Benzene, [[1-(phenylmethylene)propyl]thio]-?
The molecular formula of Benzene, [[1-(phenylmethylene)propyl]thio]- is C16H16S.
What is the molecular weight of Benzene, [[1-(phenylmethylene)propyl]thio]-?
The molecular weight of Benzene, [[1-(phenylmethylene)propyl]thio]- is 240.10 g/mol.
Where can I buy Benzene, [[1-(phenylmethylene)propyl]thio]-?
You can request a quote for Benzene, [[1-(phenylmethylene)propyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [[1-(phenylmethylene)propyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [[1-(phenylmethylene)propyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.