(((3-Methylphenyl)methyl)sulfanyl)methanimidamide
TL;DR: (((3-Methylphenyl)methyl)sulfanyl)methanimidamide (CAS 763905-22-2) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl)methyl carbamimidothioate
Also Known As: {[(3-methylphenyl)methyl]sulfanyl}methanimidamide, 3-methylbenzyl imidothiocarbamate, 2-(m-tolylmethyl)isothiourea, (3-methylphenyl)methyl carbamimidothioate, {(3-methylphenyl)methylsulfanyl}methanimidamide
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 2.12169 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 283.61197 |
Chemical Identifiers
| CAS Number | 763905-22-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC(=N)N |
Product Overview
(((3-Methylphenyl)methyl)sulfanyl)methanimidamide (CAS 763905-22-2), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: (3-methylphenyl)methyl carbamimidothioate.
Chemical Property Profile of (((3-Methylphenyl)methyl)sulfanyl)methanimidamide
Property Insights of (((3-Methylphenyl)methyl)sulfanyl)methanimidamide
The XLogP value of 2.12169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((3-Methylphenyl)methyl)sulfanyl)methanimidamide. With a topological polar surface area (TPSA) of 49.87 Ų, (((3-Methylphenyl)methyl)sulfanyl)methanimidamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (((3-Methylphenyl)methyl)sulfanyl)methanimidamide has 2 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 (((3-Methylphenyl)methyl)sulfanyl)methanimidamide?
The CAS number of (((3-Methylphenyl)methyl)sulfanyl)methanimidamide is 763905-22-2.
What is the molecular formula of (((3-Methylphenyl)methyl)sulfanyl)methanimidamide?
The molecular formula of (((3-Methylphenyl)methyl)sulfanyl)methanimidamide is C9H12N2S.
What is the molecular weight of (((3-Methylphenyl)methyl)sulfanyl)methanimidamide?
The molecular weight of (((3-Methylphenyl)methyl)sulfanyl)methanimidamide is 180.07 g/mol.
Where can I buy (((3-Methylphenyl)methyl)sulfanyl)methanimidamide?
You can request a quote for (((3-Methylphenyl)methyl)sulfanyl)methanimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((3-Methylphenyl)methyl)sulfanyl)methanimidamide?
Yes, KEHONG BIO provides custom synthesis services for (((3-Methylphenyl)methyl)sulfanyl)methanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.