Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester
TL;DR: Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester (CAS 195140-23-9) is a chemical compound with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl N-(4-methyl-2-nitrophenyl)carbamothioate
Also Known As: S-Benzyl (4-methyl-2-nitrophenyl)carbamothioate, S-benzyl N-(4-methyl-2-nitrophenyl)carbamothioate, S-BENZYL N-(4-METHYL-2-NITROPHENYL)THIOCARBAMATE, N-(4-methyl-2-nitrophenyl)(benzylsulfanyl)formamide, Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester
| Molecular Formula | C15H14N2O3S |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0725 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 195140-23-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)SCC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | UISNSONREJUYCC-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester (CAS 195140-23-9), with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol. IUPAC: S-benzyl N-(4-methyl-2-nitrophenyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester
Property Insights of Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester
The XLogP value of 3.9 indicates that Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester. Following Lipinski's Rule of Five, Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester has 1 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 Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester?
The CAS number of Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester is 195140-23-9.
What is the molecular formula of Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester?
The molecular formula of Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester is C15H14N2O3S.
What is the molecular weight of Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester?
The molecular weight of Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester is 302.07 g/mol.
Where can I buy Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester?
You can request a quote for Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (4-methyl-2-nitrophenyl)-, S-(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.