![N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid structure](/static/products/1006/100650-68-8.webp)
N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid
TL;DR: N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid (CAS 100650-68-8) is a chemical compound with molecular formula C13H22N4OS2 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]thiourea
Also Known As: N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid, Thiourea, N-(1-methylethyl)-N'-(2-(((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thio)ethyl)-, 1-[2-(3-oxa-7,9-diazabicyclo[4.3.0]nona-8,10-dien-2-ylmethylsulfanyl)ethyl]-3-propan-2-yl-thiourea, 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]thiourea, N-(Propan-2-yl)-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid
| Molecular Formula | C13H22N4OS2 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 1.6292 |
| Topological Polar Surface Area | 61.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.1235 |
| Heavy Atoms | 20 |
| Complexity | 435.7606 |
Chemical Identifiers
| CAS Number | 100650-68-8 |
|---|---|
| SMILES | CC(C)NC(=S)NCCSCC1C2=C(CCO1)NC=N2 |
Product Overview
N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid (CAS 100650-68-8), with molecular formula C13H22N4OS2 and molecular weight 314.12 g/mol. IUPAC: 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethylsulfanyl)ethyl]thiourea.
Chemical Property Profile of N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid
Property Insights of N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid
The XLogP value of 1.6292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid. The TPSA of 61.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid. Following Lipinski's Rule of Five, N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid has 3 hydrogen bond donor(s) and 4 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 N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid?
The CAS number of N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid is 100650-68-8.
What is the molecular formula of N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid?
The molecular formula of N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid is C13H22N4OS2.
What is the molecular weight of N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid?
The molecular weight of N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid is 314.12 g/mol.
Where can I buy N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid?
You can request a quote for N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Propan-2-yl-N'-(2-{[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]sulfanyl}ethyl)carbamimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.