2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid
TL;DR: 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid (CAS 13349-19-4) is a chemical compound with molecular formula C5H11N3OS and molecular weight 161.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxybutan-2-ylideneamino)thiourea
Also Known As: 4-Hydroxy-2-butanone thiosemicarbazone, (4-hydroxybutan-2-ylideneamino)thiourea, [(E)-4-hydroxybutan-2-ylideneamino]thiourea, 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid
| Molecular Formula | C5H11N3OS |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | -0.4221 |
| Topological Polar Surface Area | 70.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.06229 |
| Heavy Atoms | 10 |
| Complexity | 145.82849 |
Chemical Identifiers
| CAS Number | 13349-19-4 |
|---|---|
| SMILES | CC(=NNC(=S)N)CCO |
Product Overview
2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid (CAS 13349-19-4), with molecular formula C5H11N3OS and molecular weight 161.06 g/mol. IUPAC: (4-hydroxybutan-2-ylideneamino)thiourea.
Chemical Property Profile of 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid
Property Insights of 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid
The XLogP value of -0.4221 indicates that 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid. Following Lipinski's Rule of Five, 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid 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 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid?
The CAS number of 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid is 13349-19-4.
What is the molecular formula of 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid?
The molecular formula of 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid is C5H11N3OS.
What is the molecular weight of 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid?
The molecular weight of 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid is 161.06 g/mol.
Where can I buy 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid?
You can request a quote for 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Hydroxybutan-2-ylidene)hydrazine-1-carboximidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.