Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt
TL;DR: Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt (CAS 52908-85-7) is a chemical compound with molecular formula C8H12N2S2 and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;(2-methylphenyl)carbamodithioic acid
Also Known As: AI3-31492, Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt, azane,(2-methylphenyl)carbamodithioic acid, azane; (2-methylphenyl)carbamodithioic acid, (2-Methylphenyl)carbamodithioic acid--ammonia (1/1)
| Molecular Formula | C8H12N2S2 |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 2.78362 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.04419 |
| Heavy Atoms | 12 |
| Complexity | 273.5153 |
Chemical Identifiers
| CAS Number | 52908-85-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)S.N |
Product Overview
Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt (CAS 52908-85-7), with molecular formula C8H12N2S2 and molecular weight 200.04 g/mol. IUPAC: azane;(2-methylphenyl)carbamodithioic acid.
Chemical Property Profile of Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt
Property Insights of Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt
The XLogP value of 2.78362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt. With a topological polar surface area (TPSA) of 47.03 Ų, Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt has 3 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 Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt?
The CAS number of Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt is 52908-85-7.
What is the molecular formula of Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt?
The molecular formula of Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt is C8H12N2S2.
What is the molecular weight of Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt?
The molecular weight of Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt is 200.04 g/mol.
Where can I buy Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt?
You can request a quote for Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt 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)-, monoammonium salt?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (2-methylphenyl)-, monoammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.