S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
TL;DR: S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate (CAS 83579-43-5) is a chemical compound with molecular formula C9H9N3OS2 and molecular weight 239.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
Also Known As: S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate, sodium,3,6-bis(propylsulfanyl)naphthalene-2-sulfonate, s-methyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate, sodium 3,6-bis(propylsulfanyl)naphthalene-2-sulfonate, S-Methyl hydrogen 1,3-benzothiazol-2-ylcarbonohydrazonothioate
| Molecular Formula | C9H9N3OS2 |
|---|---|
| Molecular Weight | 239.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0187 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 83579-43-5 |
|---|---|
| SMILES | CSC(=O)NNC1=NC2=CC=CC=C2S1 |
| InChIKey | HRSILOJKUFBOML-UHFFFAOYSA-N |
Product Overview
S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate (CAS 83579-43-5), with molecular formula C9H9N3OS2 and molecular weight 239.02 g/mol. IUPAC: S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate.
Chemical Property Profile of S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
Property Insights of S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
The XLogP value of 3.1 indicates that S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate. Following Lipinski's Rule of Five, S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate has 2 hydrogen bond donor(s) and 5 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 S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate?
The CAS number of S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate is 83579-43-5.
What is the molecular formula of S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate?
The molecular formula of S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate is C9H9N3OS2.
What is the molecular weight of S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate?
The molecular weight of S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate is 239.02 g/mol.
Where can I buy S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate?
You can request a quote for S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl N-(1,3-benzothiazol-2-ylamino)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.