2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide
TL;DR: 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide (CAS 46341-45-1) is a chemical compound with molecular formula C8H11N5S and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylideneamino)-3-phenylthiourea
Also Known As: guanyl 4-phenyl thiosemicarbazide, 1-(diaminomethylideneamino)-3-phenylthiourea, 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide, RefChem:253671
| Molecular Formula | C8H11N5S |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 0.1614 |
| Topological Polar Surface Area | 88.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.07352 |
| Heavy Atoms | 14 |
| Complexity | 330.8447 |
Chemical Identifiers
| CAS Number | 46341-45-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NN=C(N)N |
Product Overview
2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide (CAS 46341-45-1), with molecular formula C8H11N5S and molecular weight 209.07 g/mol. IUPAC: 1-(diaminomethylideneamino)-3-phenylthiourea.
Chemical Property Profile of 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide
Property Insights of 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide
The XLogP value of 0.1614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide. The TPSA of 88.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide. Following Lipinski's Rule of Five, 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide has 4 hydrogen bond donor(s) and 2 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 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide?
The CAS number of 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide is 46341-45-1.
What is the molecular formula of 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide?
The molecular formula of 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide is C8H11N5S.
What is the molecular weight of 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide?
The molecular weight of 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide is 209.07 g/mol.
Where can I buy 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide?
You can request a quote for 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diaminomethylidene)-N-phenylhydrazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.