(氯硫代)甲酰氯
TL;DR: (氯硫代)甲酰氯 (CAS 2757-23-5) is a chemical compound with molecular formula CCl2OS and molecular weight 129.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(氯硫代)甲酰氯
S-chloro chloromethanethioate
Also Known As: Chlorocarbonylsulfenyl chloride, (Chlorothio)formyl chloride, S-chloro chloromethanethioate, Chloroformylsulfenyl chloride, CCl2OS
| Molecular Formula | CCl2OS |
|---|---|
| Molecular Weight | 129.90 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.9047 |
| Heavy Atoms | 5 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 2757-23-5 |
|---|---|
| SMILES | C(=O)(SCl)Cl |
| InChIKey | MNOALXGAYUJNKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(氯硫代)甲酰氯 (CAS 2757-23-5), with molecular formula CCl2OS and molecular weight 129.90 g/mol. IUPAC: S-chloro chloromethanethioate.
Chemical Property Profile of (氯硫代)甲酰氯
Property Insights of (氯硫代)甲酰氯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (氯硫代)甲酰氯. With a topological polar surface area (TPSA) of 42.4 Ų, (氯硫代)甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (氯硫代)甲酰氯 has 0 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)甲酰氯?
The CAS number of (氯硫代)甲酰氯 is 2757-23-5.
What is the molecular formula of (氯硫代)甲酰氯?
The molecular formula of (氯硫代)甲酰氯 is CCl2OS.
What is the molecular weight of (氯硫代)甲酰氯?
The molecular weight of (氯硫代)甲酰氯 is 129.90 g/mol.
Where can I buy (氯硫代)甲酰氯?
You can request a quote for (氯硫代)甲酰氯 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)甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for (氯硫代)甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.