4-Allylthiosemicarbazide
TL;DR: 4-Allylthiosemicarbazide (CAS 3766-55-0) is a chemical compound with molecular formula C4H9N3S and molecular weight 131.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-prop-2-enylthiourea
Also Known As: 4-Allylthiosemicarbazide, 4-Allyl-3-thiosemicarbazide, N-Allylhydrazinecarbothioamide, Allylthiosemicarbazide, Allythiosemicarbazide
| Molecular Formula | C4H9N3S |
|---|---|
| Molecular Weight | 131.05 g/mol |
| LogP | -0.4898 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.05171 |
| Heavy Atoms | 8 |
| Complexity | 91.28421 |
Chemical Identifiers
| CAS Number | 3766-55-0 |
|---|---|
| SMILES | C=CCNC(=S)NN |
Product Overview
4-Allylthiosemicarbazide (CAS 3766-55-0), with molecular formula C4H9N3S and molecular weight 131.05 g/mol. IUPAC: 1-amino-3-prop-2-enylthiourea.
Chemical Property Profile of 4-Allylthiosemicarbazide
Property Insights of 4-Allylthiosemicarbazide
The XLogP value of -0.4898 indicates that 4-Allylthiosemicarbazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.08 Ų, 4-Allylthiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Allylthiosemicarbazide 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-Allylthiosemicarbazide?
The CAS number of 4-Allylthiosemicarbazide is 3766-55-0.
What is the molecular formula of 4-Allylthiosemicarbazide?
The molecular formula of 4-Allylthiosemicarbazide is C4H9N3S.
What is the molecular weight of 4-Allylthiosemicarbazide?
The molecular weight of 4-Allylthiosemicarbazide is 131.05 g/mol.
Where can I buy 4-Allylthiosemicarbazide?
You can request a quote for 4-Allylthiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allylthiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Allylthiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.