s-Hexadecyl chloroethanethioate
TL;DR: s-Hexadecyl chloroethanethioate (CAS 6973-67-7) is a chemical compound with molecular formula C18H35ClOS and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-hexadecyl 2-chloroethanethioate
Also Known As: s-hexadecyl chloroethanethioate, S-hexadecyl 2-chloroethanethioate, 2-CHLORO-1-HEXADECYLSULFANYL-ETHANONE
| Molecular Formula | C18H35ClOS |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 334.20972 |
| Heavy Atoms | 21 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 6973-67-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC(=O)CCl |
| InChIKey | UOLMCTUHVUSZEC-UHFFFAOYSA-N |
Product Overview
s-Hexadecyl chloroethanethioate (CAS 6973-67-7), with molecular formula C18H35ClOS and molecular weight 334.21 g/mol. IUPAC: S-hexadecyl 2-chloroethanethioate.
Chemical Property Profile of s-Hexadecyl chloroethanethioate
Property Insights of s-Hexadecyl chloroethanethioate
The XLogP value of 9.0 indicates that s-Hexadecyl chloroethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, s-Hexadecyl chloroethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Hexadecyl chloroethanethioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-Hexadecyl chloroethanethioate?
The CAS number of s-Hexadecyl chloroethanethioate is 6973-67-7.
What is the molecular formula of s-Hexadecyl chloroethanethioate?
The molecular formula of s-Hexadecyl chloroethanethioate is C18H35ClOS.
What is the molecular weight of s-Hexadecyl chloroethanethioate?
The molecular weight of s-Hexadecyl chloroethanethioate is 334.21 g/mol.
Where can I buy s-Hexadecyl chloroethanethioate?
You can request a quote for s-Hexadecyl chloroethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Hexadecyl chloroethanethioate?
Yes, KEHONG BIO provides custom synthesis services for s-Hexadecyl chloroethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.