1-(4-Chlorophenyl)-4-methylthiosemicarbazide
TL;DR: 1-(4-Chlorophenyl)-4-methylthiosemicarbazide (CAS 27562-78-3) is a chemical compound with molecular formula C8H10ClN3S and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloroanilino)-3-methylthiourea
Also Known As: NIOSH/VT3267000, 1-(4-chloroanilino)-3-methylthiourea, 1-(4-Chlorophenyl)-4-methylthiosemicarbazide, Semicarbazide, 1-(4-chlorophenyl)-4-methyl-3-thio-, 1-[(4-CHLOROPHENYL)AMINO]-3-METHYLTHIOUREA
| Molecular Formula | C8H10ClN3S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 1.7608 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.0284 |
| Heavy Atoms | 13 |
| Complexity | 285.94556 |
Chemical Identifiers
| CAS Number | 27562-78-3 |
|---|---|
| SMILES | CNC(=S)NNC1=CC=C(C=C1)Cl |
Product Overview
1-(4-Chlorophenyl)-4-methylthiosemicarbazide (CAS 27562-78-3), with molecular formula C8H10ClN3S and molecular weight 215.03 g/mol. IUPAC: 1-(4-chloroanilino)-3-methylthiourea.
Chemical Property Profile of 1-(4-Chlorophenyl)-4-methylthiosemicarbazide
Property Insights of 1-(4-Chlorophenyl)-4-methylthiosemicarbazide
The XLogP value of 1.7608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-4-methylthiosemicarbazide. With a topological polar surface area (TPSA) of 36.09 Ų, 1-(4-Chlorophenyl)-4-methylthiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-4-methylthiosemicarbazide 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-(4-Chlorophenyl)-4-methylthiosemicarbazide?
The CAS number of 1-(4-Chlorophenyl)-4-methylthiosemicarbazide is 27562-78-3.
What is the molecular formula of 1-(4-Chlorophenyl)-4-methylthiosemicarbazide?
The molecular formula of 1-(4-Chlorophenyl)-4-methylthiosemicarbazide is C8H10ClN3S.
What is the molecular weight of 1-(4-Chlorophenyl)-4-methylthiosemicarbazide?
The molecular weight of 1-(4-Chlorophenyl)-4-methylthiosemicarbazide is 215.03 g/mol.
Where can I buy 1-(4-Chlorophenyl)-4-methylthiosemicarbazide?
You can request a quote for 1-(4-Chlorophenyl)-4-methylthiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-4-methylthiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-4-methylthiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.