Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide
TL;DR: Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide (CAS 26029-04-9) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzamido-3-prop-2-enylthiourea
Also Known As: N-ALLYL-2-BENZOYLHYDRAZINECARBOTHIOAMIDE, 1-benzamido-3-prop-2-enylthiourea, 3-allyl-1-benzamido-isothiourea, N-allyl-2-benzoylhydrazinecarbothiamide, BAS 01365700
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.9815 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 378.07587 |
Chemical Identifiers
| CAS Number | 26029-04-9 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)C1=CC=CC=C1 |
Product Overview
Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide (CAS 26029-04-9), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 1-benzamido-3-prop-2-enylthiourea.
Chemical Property Profile of Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide
Property Insights of Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide
The XLogP value of 0.9815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide. With a topological polar surface area (TPSA) of 53.16 Ų, Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide 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 Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide?
The CAS number of Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide is 26029-04-9.
What is the molecular formula of Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide?
The molecular formula of Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide is C11H13N3OS.
What is the molecular weight of Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide?
The molecular weight of Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide is 235.08 g/mol.
Where can I buy Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide?
You can request a quote for Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((2-propenylamino)thioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.