4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide
TL;DR: 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide (CAS 61335-37-3) 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-amino-3-(4-chloro-2-methylphenyl)thiourea
Also Known As: Maybridge1_007205, 1-amino-3-(4-chloro-2-methylphenyl)thiourea, Hydrazinecarbothioamide, N-(4-chloro-2-methylphenyl)-, 4-(4-CHLORO-ORTHO-TOLYL)-3-THIOSEMICARBAZIDE, N1-(4-chloro-2-methylphenyl)hydrazine-1-carbothioamide
| Molecular Formula | C8H10ClN3S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 1.80852 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.0284 |
| Heavy Atoms | 13 |
| Complexity | 327.16522 |
Chemical Identifiers
| CAS Number | 61335-37-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=S)NN |
Product Overview
4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide (CAS 61335-37-3), with molecular formula C8H10ClN3S and molecular weight 215.03 g/mol. IUPAC: 1-amino-3-(4-chloro-2-methylphenyl)thiourea.
Chemical Property Profile of 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide
Property Insights of 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide
The XLogP value of 1.80852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide 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 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide?
The CAS number of 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide is 61335-37-3.
What is the molecular formula of 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide?
The molecular formula of 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide is C8H10ClN3S.
What is the molecular weight of 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide?
The molecular weight of 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide is 215.03 g/mol.
Where can I buy 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide?
You can request a quote for 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-ortho-tolyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.