1,1-Dimethyl-4-phenylthiosemicarbazide
TL;DR: 1,1-Dimethyl-4-phenylthiosemicarbazide (CAS 6297-19-4) is a chemical compound with molecular formula C9H13N3S and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)-3-phenylthiourea
Also Known As: 1-(dimethylamino)-3-phenylthiourea, Semicarbazide, 1,1-dimethyl-4-phenyl-3-thio-, 1,1-Dimethyl-4-phenylthiosemicarbazide, 1,1-Dimethyl-4-phenyl-3-thiosemicarbazide, dimethyl 4-phenylthiosemicarbazide
| Molecular Formula | C9H13N3S |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 1.4496 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.08302 |
| Heavy Atoms | 13 |
| Complexity | 271.44812 |
Chemical Identifiers
| CAS Number | 6297-19-4 |
|---|---|
| SMILES | CN(C)NC(=S)NC1=CC=CC=C1 |
Product Overview
1,1-Dimethyl-4-phenylthiosemicarbazide (CAS 6297-19-4), with molecular formula C9H13N3S and molecular weight 195.08 g/mol. IUPAC: 1-(dimethylamino)-3-phenylthiourea.
Chemical Property Profile of 1,1-Dimethyl-4-phenylthiosemicarbazide
Property Insights of 1,1-Dimethyl-4-phenylthiosemicarbazide
The XLogP value of 1.4496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-4-phenylthiosemicarbazide. With a topological polar surface area (TPSA) of 27.3 Ų, 1,1-Dimethyl-4-phenylthiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-4-phenylthiosemicarbazide has 2 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 1,1-Dimethyl-4-phenylthiosemicarbazide?
The CAS number of 1,1-Dimethyl-4-phenylthiosemicarbazide is 6297-19-4.
What is the molecular formula of 1,1-Dimethyl-4-phenylthiosemicarbazide?
The molecular formula of 1,1-Dimethyl-4-phenylthiosemicarbazide is C9H13N3S.
What is the molecular weight of 1,1-Dimethyl-4-phenylthiosemicarbazide?
The molecular weight of 1,1-Dimethyl-4-phenylthiosemicarbazide is 195.08 g/mol.
Where can I buy 1,1-Dimethyl-4-phenylthiosemicarbazide?
You can request a quote for 1,1-Dimethyl-4-phenylthiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-4-phenylthiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-4-phenylthiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.