1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea
TL;DR: 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea (CAS 61295-73-6) is a chemical compound with molecular formula C16H19N5S2 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea
Also Known As: 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea, 1-anilino-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea, N-(3,4-Dimethylphenyl)-2-(2-phenylhydrazine-1-carbothioyl)hydrazine-1-carbothioamide, N-(3,4-dimethylphenyl)-2-[(2-phenylhydrazino)carbothioyl]hydrazinecarbothioamide, RefChem:357264
| Molecular Formula | C16H19N5S2 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.99604 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1082 |
| Heavy Atoms | 23 |
| Complexity | 688.1249 |
Chemical Identifiers
| CAS Number | 61295-73-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)NNC(=S)NNC2=CC=CC=C2)C |
Product Overview
1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea (CAS 61295-73-6), with molecular formula C16H19N5S2 and molecular weight 345.11 g/mol. IUPAC: 1-anilino-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea.
Chemical Property Profile of 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea
Property Insights of 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea
The XLogP value of 2.99604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea. Following Lipinski's Rule of Five, 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea has 5 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-anilino-6-(3,4-xylyl)-2,5-dithiobiurea?
The CAS number of 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea is 61295-73-6.
What is the molecular formula of 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea?
The molecular formula of 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea is C16H19N5S2.
What is the molecular weight of 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea?
The molecular weight of 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea is 345.11 g/mol.
Where can I buy 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea?
You can request a quote for 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea?
Yes, KEHONG BIO provides custom synthesis services for 1-anilino-6-(3,4-xylyl)-2,5-dithiobiurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.