1-Phenylthiosemicarbazide
TL;DR: 1-Phenylthiosemicarbazide (CAS 645-48-7) is a chemical compound with molecular formula C7H9N3S and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
anilinothiourea
Also Known As: 1-Phenyl-3-thiosemicarbazide, 2-Phenylhydrazinecarbothioamide, anilinothiourea, 1-Phenylthiosemicarbazide, (phenylamino)thiourea
| Molecular Formula | C7H9N3S |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 0.8467 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05171 |
| Heavy Atoms | 11 |
| Complexity | 234.70082 |
Chemical Identifiers
| CAS Number | 645-48-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NNC(=S)N |
Product Overview
1-Phenylthiosemicarbazide (CAS 645-48-7), with molecular formula C7H9N3S and molecular weight 167.05 g/mol. IUPAC: anilinothiourea.
Chemical Property Profile of 1-Phenylthiosemicarbazide
Property Insights of 1-Phenylthiosemicarbazide
The XLogP value of 0.8467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylthiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 1-Phenylthiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylthiosemicarbazide has 3 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-Phenylthiosemicarbazide?
The CAS number of 1-Phenylthiosemicarbazide is 645-48-7.
What is the molecular formula of 1-Phenylthiosemicarbazide?
The molecular formula of 1-Phenylthiosemicarbazide is C7H9N3S.
What is the molecular weight of 1-Phenylthiosemicarbazide?
The molecular weight of 1-Phenylthiosemicarbazide is 167.05 g/mol.
Where can I buy 1-Phenylthiosemicarbazide?
You can request a quote for 1-Phenylthiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylthiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylthiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.