Acetylthiourea
TL;DR: Acetylthiourea (CAS 591-08-2) is a chemical compound with molecular formula C3H6N2OS and molecular weight 118.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamothioylacetamide
Also Known As: N-Acetylthiourea, Acetylthiourea, 1-Acetylthiourea, Acetothiourea, Acetyl thiourea
| Molecular Formula | C3H6N2OS |
|---|---|
| Molecular Weight | 118.02 g/mol |
| LogP | -0.6339 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.02008 |
| Heavy Atoms | 7 |
| Complexity | 89.10803 |
Chemical Identifiers
| CAS Number | 591-08-2 |
|---|---|
| SMILES | CC(=O)NC(=S)N |
Product Overview
Acetylthiourea (CAS 591-08-2), with molecular formula C3H6N2OS and molecular weight 118.02 g/mol. IUPAC: N-carbamothioylacetamide.
Chemical Property Profile of Acetylthiourea
Property Insights of Acetylthiourea
The XLogP value of -0.6339 indicates that Acetylthiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.12 Ų, Acetylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylthiourea 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 Acetylthiourea?
The CAS number of Acetylthiourea is 591-08-2.
What is the molecular formula of Acetylthiourea?
The molecular formula of Acetylthiourea is C3H6N2OS.
What is the molecular weight of Acetylthiourea?
The molecular weight of Acetylthiourea is 118.02 g/mol.
Where can I buy Acetylthiourea?
You can request a quote for Acetylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylthiourea?
Yes, KEHONG BIO provides custom synthesis services for Acetylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.