氯硫代甲酸S-十二烷基酯
TL;DR: 氯硫代甲酸S-十二烷基酯 (CAS 55512-40-8) is a chemical compound with molecular formula C13H25ClOS and molecular weight 264.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯硫代甲酸S-十二烷基酯
S-dodecyl chloromethanethioate
Also Known As: S-dodecyl chloromethanethioate, dodecylsulfanylformyl chloride, Carbonochloridothioic acid, S-dodecyl ester, S-Dodecyl carbonochloridothioate, Carbonochlorothioic acid, S-dodecyl ester
| Molecular Formula | C13H25ClOS |
|---|---|
| Molecular Weight | 264.13 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 264.13147 |
| Heavy Atoms | 16 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 55512-40-8 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(=O)Cl |
| InChIKey | CRGLUKUAPXSVFQ-UHFFFAOYSA-N |
Product Overview
氯硫代甲酸S-十二烷基酯 (CAS 55512-40-8), with molecular formula C13H25ClOS and molecular weight 264.13 g/mol. IUPAC: S-dodecyl chloromethanethioate.
Chemical Property Profile of 氯硫代甲酸S-十二烷基酯
Property Insights of 氯硫代甲酸S-十二烷基酯
The XLogP value of 7.3 indicates that 氯硫代甲酸S-十二烷基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 氯硫代甲酸S-十二烷基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯硫代甲酸S-十二烷基酯 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 氯硫代甲酸S-十二烷基酯?
The CAS number of 氯硫代甲酸S-十二烷基酯 is 55512-40-8.
What is the molecular formula of 氯硫代甲酸S-十二烷基酯?
The molecular formula of 氯硫代甲酸S-十二烷基酯 is C13H25ClOS.
What is the molecular weight of 氯硫代甲酸S-十二烷基酯?
The molecular weight of 氯硫代甲酸S-十二烷基酯 is 264.13 g/mol.
Where can I buy 氯硫代甲酸S-十二烷基酯?
You can request a quote for 氯硫代甲酸S-十二烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯硫代甲酸S-十二烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 氯硫代甲酸S-十二烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.