(2-methyl-1H-indol-3-yl) carbamimidothioate
TL;DR: (2-methyl-1H-indol-3-yl) carbamimidothioate (CAS 81041-01-2) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1H-indol-3-yl) carbamimidothioate
Also Known As: (2-methyl-1H-indol-3-yl) carbamimidothioate, BAS 01027225, IFLAB-BB F1386-0266, 2-methyl-3-indolylsulfanecarboxamidine, [(2-methyl-1H-indol-3-yl)sulfanyl]methanimidamide
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.46189 |
| Topological Polar Surface Area | 65.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 487.0728 |
Chemical Identifiers
| CAS Number | 81041-01-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)SC(=N)N |
Product Overview
(2-methyl-1H-indol-3-yl) carbamimidothioate (CAS 81041-01-2), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: (2-methyl-1H-indol-3-yl) carbamimidothioate.
Chemical Property Profile of (2-methyl-1H-indol-3-yl) carbamimidothioate
Property Insights of (2-methyl-1H-indol-3-yl) carbamimidothioate
The XLogP value of 2.46189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-methyl-1H-indol-3-yl) carbamimidothioate. The TPSA of 65.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-methyl-1H-indol-3-yl) carbamimidothioate. Following Lipinski's Rule of Five, (2-methyl-1H-indol-3-yl) carbamimidothioate has 3 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 (2-methyl-1H-indol-3-yl) carbamimidothioate?
The CAS number of (2-methyl-1H-indol-3-yl) carbamimidothioate is 81041-01-2.
What is the molecular formula of (2-methyl-1H-indol-3-yl) carbamimidothioate?
The molecular formula of (2-methyl-1H-indol-3-yl) carbamimidothioate is C10H11N3S.
What is the molecular weight of (2-methyl-1H-indol-3-yl) carbamimidothioate?
The molecular weight of (2-methyl-1H-indol-3-yl) carbamimidothioate is 205.07 g/mol.
Where can I buy (2-methyl-1H-indol-3-yl) carbamimidothioate?
You can request a quote for (2-methyl-1H-indol-3-yl) carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-methyl-1H-indol-3-yl) carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (2-methyl-1H-indol-3-yl) carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.