氯硫代甲酸
TL;DR: 氯硫代甲酸 (CAS 16890-85-0) is a chemical compound with molecular formula CHClOS and molecular weight 95.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯硫代甲酸
chloromethanethioic S-acid
Also Known As: CHLOROTHIOFORMIC ACID, Chlorothiocarbonic acid, Carbonochloridothioic acid, Chloromethanethioic Acid, sulfanylcarbonyl chloride
| Molecular Formula | CHClOS |
|---|---|
| Molecular Weight | 95.94 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 95.943665 |
| Heavy Atoms | 4 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 16890-85-0 |
|---|---|
| SMILES | C(=O)(S)Cl |
| InChIKey | KTRFZWJCHOQHMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯硫代甲酸 (CAS 16890-85-0), with molecular formula CHClOS and molecular weight 95.94 g/mol. IUPAC: chloromethanethioic S-acid.
Chemical Property Profile of 氯硫代甲酸
Property Insights of 氯硫代甲酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯硫代甲酸. With a topological polar surface area (TPSA) of 18.1 Ų, 氯硫代甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯硫代甲酸 has 1 hydrogen bond donor(s) and 2 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 氯硫代甲酸?
The CAS number of 氯硫代甲酸 is 16890-85-0.
What is the molecular formula of 氯硫代甲酸?
The molecular formula of 氯硫代甲酸 is CHClOS.
What is the molecular weight of 氯硫代甲酸?
The molecular weight of 氯硫代甲酸 is 95.94 g/mol.
Where can I buy 氯硫代甲酸?
You can request a quote for 氯硫代甲酸 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?
Yes, KEHONG BIO provides custom synthesis services for 氯硫代甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.