methane-1-thione structure](/static/products/975/97540-61-9.png)
[Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione
TL;DR: [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione (CAS 97540-61-9) is a chemical compound with molecular formula C10H10N4S2 and molecular weight 250.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(1,3,4-thiadiazol-2-yl)thiourea
Also Known As: 1-benzyl-3-(1,3,4-thiadiazol-2-yl)thiourea, [benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione
| Molecular Formula | C10H10N4S2 |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 2.0247 |
| Topological Polar Surface Area | 49.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.03468 |
| Heavy Atoms | 16 |
| Complexity | 441.1073 |
Chemical Identifiers
| CAS Number | 97540-61-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC2=NN=CS2 |
Product Overview
[Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione (CAS 97540-61-9), with molecular formula C10H10N4S2 and molecular weight 250.03 g/mol. IUPAC: 1-benzyl-3-(1,3,4-thiadiazol-2-yl)thiourea.
Chemical Property Profile of [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione
Property Insights of [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione
The XLogP value of 2.0247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione. With a topological polar surface area (TPSA) of 49.84 Ų, [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione has 2 hydrogen bond donor(s) and 4 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](1,3,4-thiadiazol-2-ylamino)methane-1-thione?
The CAS number of [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione is 97540-61-9.
What is the molecular formula of [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione?
The molecular formula of [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione is C10H10N4S2.
What is the molecular weight of [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione?
The molecular weight of [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione is 250.03 g/mol.
Where can I buy [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione?
You can request a quote for [Benzylamino](1,3,4-thiadiazol-2-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](1,3,4-thiadiazol-2-ylamino)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for [Benzylamino](1,3,4-thiadiazol-2-ylamino)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.