1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide
TL;DR: 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide (CAS 3916-12-9) is a chemical compound with molecular formula C11H15N3S and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N'-(propan-2-ylideneamino)carbamimidothioate
Also Known As: benzyl N'-(propan-2-ylideneamino)carbamimidothioate, 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide
| Molecular Formula | C11H15N3S |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.09866 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 3916-12-9 |
|---|---|
| SMILES | CC(=NN=C(N)SCC1=CC=CC=C1)C |
| InChIKey | ZQZSCLVJHVILHH-UHFFFAOYSA-N |
Product Overview
1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide (CAS 3916-12-9), with molecular formula C11H15N3S and molecular weight 221.10 g/mol. IUPAC: benzyl N'-(propan-2-ylideneamino)carbamimidothioate.
Chemical Property Profile of 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide
Property Insights of 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide. Following Lipinski's Rule of Five, 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide has 1 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-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide?
The CAS number of 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide is 3916-12-9.
What is the molecular formula of 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide?
The molecular formula of 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide is C11H15N3S.
What is the molecular weight of 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide?
The molecular weight of 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide is 221.10 g/mol.
Where can I buy 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide?
You can request a quote for 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide?
Yes, KEHONG BIO provides custom synthesis services for 1-benzylsulfanyl-N-(propan-2-ylideneamino)methanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.