![[2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol structure](/static/products/1020/102093-68-5.webp)
[2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol
TL;DR: [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol (CAS 102093-68-5) is a chemical compound with molecular formula C9H14N2S2 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4-diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol
Also Known As: 2,4-Diamino-3,5-dimethylthiotoluene, 1,3-Benzenediamine, 4-methyl-2,6-bis(methylthio)-, [2,4-diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol, 6-Methyl-2,4-di(methylthio)-1,3-benzenediamine, (2,4-Diamino-5-methyl-1,3-phenylene)dimethanethiol
| Molecular Formula | C9H14N2S2 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.05984 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 102093-68-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N)CS)N)CS |
| InChIKey | JTBAOJVLBMPVBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol (CAS 102093-68-5), with molecular formula C9H14N2S2 and molecular weight 214.06 g/mol. IUPAC: [2,4-diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol.
Chemical Property Profile of [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol
Property Insights of [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol. With a topological polar surface area (TPSA) of 54.0 Ų, [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol has 4 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 [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol?
The CAS number of [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol is 102093-68-5.
What is the molecular formula of [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol?
The molecular formula of [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol is C9H14N2S2.
What is the molecular weight of [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol?
The molecular weight of [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol is 214.06 g/mol.
Where can I buy [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol?
You can request a quote for [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol?
Yes, KEHONG BIO provides custom synthesis services for [2,4-Diamino-5-methyl-3-(sulfanylmethyl)phenyl]methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.