甲基硫代氨基甲酸
TL;DR: 甲基硫代氨基甲酸 (CAS 36887-74-8) is a chemical compound with molecular formula C2H5NOS and molecular weight 91.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基硫代氨基甲酸
methylcarbamothioic S-acid
Also Known As: Carbamothioic acid, methyl-, methylthiocarbamic acid, methylcarbamothioic S-acid, N-methylcarbamothioic acid, Methylaminomethanethioic Acid
| Molecular Formula | C2H5NOS |
|---|---|
| Molecular Weight | 91.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 30.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 91.009186 |
| Heavy Atoms | 5 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 36887-74-8 |
|---|---|
| SMILES | CNC(=O)S |
| InChIKey | KCTVZKPLKCEUJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基硫代氨基甲酸 (CAS 36887-74-8), with molecular formula C2H5NOS and molecular weight 91.01 g/mol. IUPAC: methylcarbamothioic S-acid.
Chemical Property Profile of 甲基硫代氨基甲酸
Property Insights of 甲基硫代氨基甲酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基硫代氨基甲酸. With a topological polar surface area (TPSA) of 30.1 Ų, 甲基硫代氨基甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基硫代氨基甲酸 has 2 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 甲基硫代氨基甲酸?
The CAS number of 甲基硫代氨基甲酸 is 36887-74-8.
What is the molecular formula of 甲基硫代氨基甲酸?
The molecular formula of 甲基硫代氨基甲酸 is C2H5NOS.
What is the molecular weight of 甲基硫代氨基甲酸?
The molecular weight of 甲基硫代氨基甲酸 is 91.01 g/mol.
Where can I buy 甲基硫代氨基甲酸?
You can request a quote for 甲基硫代氨基甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基硫代氨基甲酸?
Yes, KEHONG BIO provides custom synthesis services for 甲基硫代氨基甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.