methane-1-thione structure](/static/products/3510/35101-83-8.webp)
[benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione
TL;DR: [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione (CAS 35101-83-8) is a chemical compound with molecular formula C10H11N5S and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(1H-1,2,4-triazol-5-yl)thiourea
Also Known As: 1-benzyl-3-(1H-1,2,4-triazol-5-yl)thiourea, N-Benzyl-N'-(1H-1,2,4-triazol-5-yl)thiourea, [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione
| Molecular Formula | C10H11N5S |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.2913 |
| Topological Polar Surface Area | 65.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.07352 |
| Heavy Atoms | 16 |
| Complexity | 439.49765 |
Chemical Identifiers
| CAS Number | 35101-83-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC2=NC=NN2 |
Product Overview
[benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione (CAS 35101-83-8), with molecular formula C10H11N5S and molecular weight 233.07 g/mol. IUPAC: 1-benzyl-3-(1H-1,2,4-triazol-5-yl)thiourea.
Chemical Property Profile of [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione
Property Insights of [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione
The XLogP value of 1.2913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione. The TPSA of 65.63 Ų falls within the moderate polarity range, balancing permeability and solubility for [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione. Following Lipinski's Rule of Five, [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione 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 [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione?
The CAS number of [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione is 35101-83-8.
What is the molecular formula of [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione?
The molecular formula of [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione is C10H11N5S.
What is the molecular weight of [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione?
The molecular weight of [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione is 233.07 g/mol.
Where can I buy [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione?
You can request a quote for [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.