3-异硫氰酸根合丙酰氯
TL;DR: 3-异硫氰酸根合丙酰氯 (CAS 43199-15-1) is a chemical compound with molecular formula C4H4ClNOS and molecular weight 148.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-异硫氰酸根合丙酰氯
3-isothiocyanatopropanoyl chloride
Also Known As: 3-isothiocyanatopropanoyl chloride, 3-isothiocyanatopropionyl chloride, N-(Sulfanylidenemethylidene)-beta-alanyl chloride, 4-Chloro-benzoic acid 2-ethoxy-4-formyl-phenyl ester, RefChem:280222
| Molecular Formula | C4H4ClNOS |
|---|---|
| Molecular Weight | 148.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.97021 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 43199-15-1 |
|---|---|
| SMILES | C(CN=C=S)C(=O)Cl |
| InChIKey | GUSMJMJXWWBKKF-UHFFFAOYSA-N |
Product Overview
3-异硫氰酸根合丙酰氯 (CAS 43199-15-1), with molecular formula C4H4ClNOS and molecular weight 148.97 g/mol. IUPAC: 3-isothiocyanatopropanoyl chloride.
Chemical Property Profile of 3-异硫氰酸根合丙酰氯
Property Insights of 3-异硫氰酸根合丙酰氯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-异硫氰酸根合丙酰氯. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-异硫氰酸根合丙酰氯. Following Lipinski's Rule of Five, 3-异硫氰酸根合丙酰氯 has 0 hydrogen bond donor(s) and 3 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 3-异硫氰酸根合丙酰氯?
The CAS number of 3-异硫氰酸根合丙酰氯 is 43199-15-1.
What is the molecular formula of 3-异硫氰酸根合丙酰氯?
The molecular formula of 3-异硫氰酸根合丙酰氯 is C4H4ClNOS.
What is the molecular weight of 3-异硫氰酸根合丙酰氯?
The molecular weight of 3-异硫氰酸根合丙酰氯 is 148.97 g/mol.
Where can I buy 3-异硫氰酸根合丙酰氯?
You can request a quote for 3-异硫氰酸根合丙酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-异硫氰酸根合丙酰氯?
Yes, KEHONG BIO provides custom synthesis services for 3-异硫氰酸根合丙酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.