![4-[3-(Methylthio)phenyl]-3-thiosemicarbazide structure](/static/products/7645/76457-80-2.webp)
4-[3-(Methylthio)phenyl]-3-thiosemicarbazide
TL;DR: 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide (CAS 76457-80-2) is a chemical compound with molecular formula C8H11N3S2 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(3-methylsulfanylphenyl)thiourea
Also Known As: 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide, 1-amino-3-(3-methylsulfanylphenyl)thiourea, 3-amino-1-[3-(methylsulfanyl)phenyl]thiourea, 4-(3-methythiophenyl)-3-thiosemicarbazide, Hydrazinecarbothioamide, N-[3-(methylthio)phenyl]-
| Molecular Formula | C8H11N3S2 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 1.5686 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.03944 |
| Heavy Atoms | 13 |
| Complexity | 301.19556 |
Chemical Identifiers
| CAS Number | 76457-80-2 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NC(=S)NN |
Product Overview
4-[3-(Methylthio)phenyl]-3-thiosemicarbazide (CAS 76457-80-2), with molecular formula C8H11N3S2 and molecular weight 213.04 g/mol. IUPAC: 1-amino-3-(3-methylsulfanylphenyl)thiourea.
Chemical Property Profile of 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide
Property Insights of 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide
The XLogP value of 1.5686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide has 3 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 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide?
The CAS number of 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide is 76457-80-2.
What is the molecular formula of 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide?
The molecular formula of 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide is C8H11N3S2.
What is the molecular weight of 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide?
The molecular weight of 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide is 213.04 g/mol.
Where can I buy 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide?
You can request a quote for 4-[3-(Methylthio)phenyl]-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-[3-(Methylthio)phenyl]-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(Methylthio)phenyl]-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.