J1.103.997I
TL;DR: J1.103.997I (CAS 178316-83-1) is a chemical compound with molecular formula C6H8N6S3 and molecular weight 260.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione
Also Known As: J1.103.997I, 4-Amino-5-[(5-methyl-1,3,4-thiadiazole-2-ylthio)methyl]-4H-1,2,4-triazole-3-thiol, 4-amino-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol, 4-Amino-2,4-dihydro-5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-3H-1,2,4-triazole-3-thione, 4-Amino-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C6H8N6S3 |
|---|---|
| Molecular Weight | 260.00 g/mol |
| LogP | 1.10671 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.99725 |
| Heavy Atoms | 15 |
| Complexity | 510.91458 |
Chemical Identifiers
| CAS Number | 178316-83-1 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=NNC(=S)N2N |
Product Overview
J1.103.997I (CAS 178316-83-1), with molecular formula C6H8N6S3 and molecular weight 260.00 g/mol. IUPAC: 4-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of J1.103.997I
Property Insights of J1.103.997I
The XLogP value of 1.10671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.103.997I. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.103.997I. Following Lipinski's Rule of Five, J1.103.997I has 2 hydrogen bond donor(s) and 7 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 J1.103.997I?
The CAS number of J1.103.997I is 178316-83-1.
What is the molecular formula of J1.103.997I?
The molecular formula of J1.103.997I is C6H8N6S3.
What is the molecular weight of J1.103.997I?
The molecular weight of J1.103.997I is 260.00 g/mol.
Where can I buy J1.103.997I?
You can request a quote for J1.103.997I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.103.997I?
Yes, KEHONG BIO provides custom synthesis services for J1.103.997I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.