N-(Phenylcarbamoyl)benzenecarbothioamide
TL;DR: N-(Phenylcarbamoyl)benzenecarbothioamide (CAS 3553-47-7) is a chemical compound with molecular formula C14H12N2OS and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenecarbonothioyl)-3-phenylurea
Also Known As: N-(phenylcarbamoyl)benzenecarbothioamide, 1-(benzenecarbonothioyl)-3-phenylurea, RefChem:362835
| Molecular Formula | C14H12N2OS |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 3.1838 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.06705 |
| Heavy Atoms | 18 |
| Complexity | 540.23517 |
Chemical Identifiers
| CAS Number | 3553-47-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)NC(=O)NC2=CC=CC=C2 |
Product Overview
N-(Phenylcarbamoyl)benzenecarbothioamide (CAS 3553-47-7), with molecular formula C14H12N2OS and molecular weight 256.07 g/mol. IUPAC: 1-(benzenecarbonothioyl)-3-phenylurea.
Chemical Property Profile of N-(Phenylcarbamoyl)benzenecarbothioamide
Property Insights of N-(Phenylcarbamoyl)benzenecarbothioamide
The XLogP value of 3.1838 indicates that N-(Phenylcarbamoyl)benzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-(Phenylcarbamoyl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Phenylcarbamoyl)benzenecarbothioamide 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 N-(Phenylcarbamoyl)benzenecarbothioamide?
The CAS number of N-(Phenylcarbamoyl)benzenecarbothioamide is 3553-47-7.
What is the molecular formula of N-(Phenylcarbamoyl)benzenecarbothioamide?
The molecular formula of N-(Phenylcarbamoyl)benzenecarbothioamide is C14H12N2OS.
What is the molecular weight of N-(Phenylcarbamoyl)benzenecarbothioamide?
The molecular weight of N-(Phenylcarbamoyl)benzenecarbothioamide is 256.07 g/mol.
Where can I buy N-(Phenylcarbamoyl)benzenecarbothioamide?
You can request a quote for N-(Phenylcarbamoyl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Phenylcarbamoyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Phenylcarbamoyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.