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Anthracene, 9-[(hexylthio)methyl]-
TL;DR: Anthracene, 9-[(hexylthio)methyl]- (CAS 51513-56-5) is a chemical compound with molecular formula C21H24S and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(hexylsulfanylmethyl)anthracene
Also Known As: 9-(hexylsulfanylmethyl)anthracene, 9-[(Hexylthio)methyl]anthracene, BIDD:GT0583, Anthracene, 9-[(hexylthio)methyl]-, 9-anthracenylmethyl hexyl sulfide
| Molecular Formula | C21H24S |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 6.8065 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.15988 |
| Heavy Atoms | 22 |
| Complexity | 691.0713 |
Chemical Identifiers
| CAS Number | 51513-56-5 |
|---|---|
| SMILES | CCCCCCSCC1=C2C=CC=CC2=CC3=CC=CC=C31 |
Product Overview
Anthracene, 9-[(hexylthio)methyl]- (CAS 51513-56-5), with molecular formula C21H24S and molecular weight 308.16 g/mol. IUPAC: 9-(hexylsulfanylmethyl)anthracene.
Chemical Property Profile of Anthracene, 9-[(hexylthio)methyl]-
Property Insights of Anthracene, 9-[(hexylthio)methyl]-
The XLogP value of 6.8065 indicates that Anthracene, 9-[(hexylthio)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Anthracene, 9-[(hexylthio)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anthracene, 9-[(hexylthio)methyl]- 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 Anthracene, 9-[(hexylthio)methyl]-?
The CAS number of Anthracene, 9-[(hexylthio)methyl]- is 51513-56-5.
What is the molecular formula of Anthracene, 9-[(hexylthio)methyl]-?
The molecular formula of Anthracene, 9-[(hexylthio)methyl]- is C21H24S.
What is the molecular weight of Anthracene, 9-[(hexylthio)methyl]-?
The molecular weight of Anthracene, 9-[(hexylthio)methyl]- is 308.16 g/mol.
Where can I buy Anthracene, 9-[(hexylthio)methyl]-?
You can request a quote for Anthracene, 9-[(hexylthio)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthracene, 9-[(hexylthio)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Anthracene, 9-[(hexylthio)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.