![1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea structure](/static/products/5903/590358-79-5.webp)
1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea
TL;DR: 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea (CAS 590358-79-5) is a chemical compound with molecular formula C11H15N3OS2 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-benzylsulfanylacetyl)amino]-3-methylthiourea
Also Known As: 1-[(2-benzylsulfanylacetyl)amino]-3-methylthiourea, AB01319787-02, 1-[(2-benzylsulfanylacetyl)amino]-3-methyl-thiourea, 2-[(benzylsulfanyl)acetyl]-N-methylhydrazinecarbothioamide, N-{[(methylamino)thioxomethyl]amino}-2-(phenylmethylthio)acetamide
| Molecular Formula | C11H15N3OS2 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 1.0449 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06564 |
| Heavy Atoms | 17 |
| Complexity | 370.2391 |
Chemical Identifiers
| CAS Number | 590358-79-5 |
|---|---|
| SMILES | CNC(=S)NNC(=O)CSCC1=CC=CC=C1 |
Product Overview
1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea (CAS 590358-79-5), with molecular formula C11H15N3OS2 and molecular weight 269.07 g/mol. IUPAC: 1-[(2-benzylsulfanylacetyl)amino]-3-methylthiourea.
Chemical Property Profile of 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea
Property Insights of 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea
The XLogP value of 1.0449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea. With a topological polar surface area (TPSA) of 53.16 Ų, 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea has 3 hydrogen bond donor(s) and 3 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 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea?
The CAS number of 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea is 590358-79-5.
What is the molecular formula of 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea?
The molecular formula of 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea is C11H15N3OS2.
What is the molecular weight of 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea?
The molecular weight of 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea is 269.07 g/mol.
Where can I buy 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea?
You can request a quote for 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Benzylsulfanylacetyl)amino]-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.