Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-
TL;DR: Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- (CAS 96804-32-9) is a chemical compound with molecular formula C12H16N4S and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-1-(dimethylamino)-3-phenylthiourea
Also Known As: 1-(2-Cyanoethyl)-2,2-dimethyl-N-phenylhydrazinecarbothioamide, 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)propionitrile, Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-, 1-(2-cyanoethyl)-1-(dimethylamino)-3-phenylthiourea, 2-(2-cyano-ethyl)-1,1-dimethyl-4-phenyl thiosemicarbazide
| Molecular Formula | C12H16N4S |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 2.07568 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.10957 |
| Heavy Atoms | 17 |
| Complexity | 396.7167 |
Chemical Identifiers
| CAS Number | 96804-32-9 |
|---|---|
| SMILES | CN(C)N(CCC#N)C(=S)NC1=CC=CC=C1 |
Product Overview
Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- (CAS 96804-32-9), with molecular formula C12H16N4S and molecular weight 248.11 g/mol. IUPAC: 1-(2-cyanoethyl)-1-(dimethylamino)-3-phenylthiourea.
Chemical Property Profile of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-
Property Insights of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-
The XLogP value of 2.07568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-. With a topological polar surface area (TPSA) of 42.3 Ų, Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- 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 Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-?
The CAS number of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- is 96804-32-9.
What is the molecular formula of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-?
The molecular formula of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- is C12H16N4S.
What is the molecular weight of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-?
The molecular weight of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- is 248.11 g/mol.
Where can I buy Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-?
You can request a quote for Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.