4-吗啉二硫代氨基甲酸
TL;DR: 4-吗啉二硫代氨基甲酸 (CAS 3581-30-4) is a chemical compound with molecular formula C5H9NOS2 and molecular weight 163.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-吗啉二硫代氨基甲酸
morpholine-4-carbodithioic acid
Also Known As: Morpholine-4-carbodithioic acid, 4-Morpholinedithiocarbamate, 4-Morpholinecarbodithioic acid, Morpholinodithiocarboxylic acid, 4-Morpholinecarbodithioicacid
| Molecular Formula | C5H9NOS2 |
|---|---|
| Molecular Weight | 163.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.01256 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 3581-30-4 |
|---|---|
| SMILES | C1COCCN1C(=S)S |
| InChIKey | NRMQMTQTYONMFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-吗啉二硫代氨基甲酸 (CAS 3581-30-4), with molecular formula C5H9NOS2 and molecular weight 163.01 g/mol. IUPAC: morpholine-4-carbodithioic acid.
Chemical Property Profile of 4-吗啉二硫代氨基甲酸
Property Insights of 4-吗啉二硫代氨基甲酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-吗啉二硫代氨基甲酸. With a topological polar surface area (TPSA) of 45.6 Ų, 4-吗啉二硫代氨基甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-吗啉二硫代氨基甲酸 has 1 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 4-吗啉二硫代氨基甲酸?
The CAS number of 4-吗啉二硫代氨基甲酸 is 3581-30-4.
What is the molecular formula of 4-吗啉二硫代氨基甲酸?
The molecular formula of 4-吗啉二硫代氨基甲酸 is C5H9NOS2.
What is the molecular weight of 4-吗啉二硫代氨基甲酸?
The molecular weight of 4-吗啉二硫代氨基甲酸 is 163.01 g/mol.
Where can I buy 4-吗啉二硫代氨基甲酸?
You can request a quote for 4-吗啉二硫代氨基甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-吗啉二硫代氨基甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-吗啉二硫代氨基甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.