C8H7ClN4S3
TL;DR: C8H7ClN4S3 (CAS 579446-13-2) is a chemical compound with molecular formula C8H7ClN4S3 and molecular weight 289.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-3-methyl-1,3,4-thiadiazole-2-thione
Also Known As: 5-((2-chloro-6-methylpyrimidin-4-yl)thio)-3-methyl-1,3,4-thiadiazole-2(3H)-thione, 5-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-3-methyl-1,3,4-thiadiazole-2-thione, 5-[(2-chloro-6-methylpyrimidin-4-yl)sulfanyl]-3-methyl-1,3,4-thiadiazole-2(3H)-thione, 5-[(2-CHLORO-6-METHYL-4-PYRIMIDINYL)SULFANYL]-3-METHYL-1,3,4-THIADIAZOLE-2(3H)-THIONE
| Molecular Formula | C8H7ClN4S3 |
|---|---|
| Molecular Weight | 289.95 g/mol |
| LogP | 3.11411 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.95215 |
| Heavy Atoms | 16 |
| Complexity | 556.65265 |
Chemical Identifiers
| CAS Number | 579446-13-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)Cl)SC2=NN(C(=S)S2)C |
Product Overview
C8H7ClN4S3 (CAS 579446-13-2), with molecular formula C8H7ClN4S3 and molecular weight 289.95 g/mol. IUPAC: 5-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-3-methyl-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of C8H7ClN4S3
Property Insights of C8H7ClN4S3
The XLogP value of 3.11411 indicates that C8H7ClN4S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, C8H7ClN4S3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C8H7ClN4S3 has 0 hydrogen bond donor(s) and 6 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 C8H7ClN4S3?
The CAS number of C8H7ClN4S3 is 579446-13-2.
What is the molecular formula of C8H7ClN4S3?
The molecular formula of C8H7ClN4S3 is C8H7ClN4S3.
What is the molecular weight of C8H7ClN4S3?
The molecular weight of C8H7ClN4S3 is 289.95 g/mol.
Where can I buy C8H7ClN4S3?
You can request a quote for C8H7ClN4S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C8H7ClN4S3?
Yes, KEHONG BIO provides custom synthesis services for C8H7ClN4S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.