Carbamodithioic acid, (2-methylphenyl)-
TL;DR: Carbamodithioic acid, (2-methylphenyl)- (CAS 45892-06-6) is a chemical compound with molecular formula C8H9NS2 and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl)carbamodithioic acid
Also Known As: o-Tolyldithiocarbamic acid, o-tolyl-dithiocarbamic acid, (2-methylphenyl)carbamodithioic acid, Carbamodithioic acid, (2-methylphenyl)-, [(2-METHYLPHENYL)AMINO]METHANEDITHIOIC ACID
| Molecular Formula | C8H9NS2 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 2.62162 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01764 |
| Heavy Atoms | 11 |
| Complexity | 270.5495 |
Chemical Identifiers
| CAS Number | 45892-06-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)S |
Product Overview
Carbamodithioic acid, (2-methylphenyl)- (CAS 45892-06-6), with molecular formula C8H9NS2 and molecular weight 183.02 g/mol. IUPAC: (2-methylphenyl)carbamodithioic acid.
Chemical Property Profile of Carbamodithioic acid, (2-methylphenyl)-
Property Insights of Carbamodithioic acid, (2-methylphenyl)-
The XLogP value of 2.62162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, (2-methylphenyl)-. With a topological polar surface area (TPSA) of 12.03 Ų, Carbamodithioic acid, (2-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (2-methylphenyl)- has 2 hydrogen bond donor(s) and 1 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 Carbamodithioic acid, (2-methylphenyl)-?
The CAS number of Carbamodithioic acid, (2-methylphenyl)- is 45892-06-6.
What is the molecular formula of Carbamodithioic acid, (2-methylphenyl)-?
The molecular formula of Carbamodithioic acid, (2-methylphenyl)- is C8H9NS2.
What is the molecular weight of Carbamodithioic acid, (2-methylphenyl)-?
The molecular weight of Carbamodithioic acid, (2-methylphenyl)- is 183.02 g/mol.
Where can I buy Carbamodithioic acid, (2-methylphenyl)-?
You can request a quote for Carbamodithioic acid, (2-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, (2-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (2-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.