3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide
TL;DR: 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide (CAS 306980-53-0) is a chemical compound with molecular formula C7H10N2OS3 and molecular weight 234.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)butanamide
Also Known As: 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide, 3-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)butanamide, 3-methyl-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)butanamide, 3-methyl-N-(5-thioxo-1,2,4-dithiazol-3-yl)butanamide, REGID_for_CID_2769170
| Molecular Formula | C7H10N2OS3 |
|---|---|
| Molecular Weight | 234.00 g/mol |
| LogP | 2.91869 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.99553 |
| Heavy Atoms | 13 |
| Complexity | 341.5069 |
Chemical Identifiers
| CAS Number | 306980-53-0 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=NC(=S)SS1 |
Product Overview
3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide (CAS 306980-53-0), with molecular formula C7H10N2OS3 and molecular weight 234.00 g/mol. IUPAC: 3-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)butanamide.
Chemical Property Profile of 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide
Property Insights of 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide
The XLogP value of 2.91869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide. With a topological polar surface area (TPSA) of 41.99 Ų, 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide has 1 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 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide?
The CAS number of 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide is 306980-53-0.
What is the molecular formula of 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide?
The molecular formula of 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide is C7H10N2OS3.
What is the molecular weight of 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide?
The molecular weight of 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide is 234.00 g/mol.
Where can I buy 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide?
You can request a quote for 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.