N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide
TL;DR: N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide (CAS 142993-39-3) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methylbenzoyl)amino]-3-prop-2-enylthiourea
Also Known As: N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide, 1-[(3-methylbenzoyl)amino]-3-prop-2-enylthiourea, 1-allyl-3-[(3-methylbenzoyl)amino]thiourea, 3-METHYL-N-{[(PROP-2-EN-1-YL)CARBAMOTHIOYL]AMINO}BENZAMIDE, Benzoic acid, 3-methyl-, 2-[(2-propenylamino)thioxomethyl]hydrazide
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 1.28992 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 431.51385 |
Chemical Identifiers
| CAS Number | 142993-39-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NNC(=S)NCC=C |
Product Overview
N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide (CAS 142993-39-3), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 1-[(3-methylbenzoyl)amino]-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide
Property Insights of N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide
The XLogP value of 1.28992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide. With a topological polar surface area (TPSA) of 53.16 Ų, N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide 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 N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide?
The CAS number of N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide is 142993-39-3.
What is the molecular formula of N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide?
The molecular formula of N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide is C12H15N3OS.
What is the molecular weight of N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide?
The molecular weight of N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide is 249.09 g/mol.
Where can I buy N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide?
You can request a quote for N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-(3-methylbenzoyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.