2-(4-Butoxybenzoyl)hydrazinecarbothioamide
TL;DR: 2-(4-Butoxybenzoyl)hydrazinecarbothioamide (CAS 96006-52-9) is a chemical compound with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-butoxybenzoyl)amino]thiourea
Also Known As: [(4-butoxybenzoyl)amino]thiourea|1-(4-butoxy-benzoyl)-thiosemicarbazide|1-(4-n-butyloxybenzoyl)thiosemicarbazide|2-(4-butoxybenzoyl)hydrazinecarbothioamide|4-BUTOXY-N-(CARBAMOTHIOYLAMINO)BENZAMIDE|AB00079553-01|2-[(4-butoxyphenyl)carbonyl]hydrazinecarbothioamide|SR-01000203636-1|SR-01000203636-2
| Molecular Formula | C12H17N3O2S |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 1.3435 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.10416 |
| Heavy Atoms | 18 |
| Complexity | 406.28848 |
Chemical Identifiers
| CAS Number | 96006-52-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)N |
Product Overview
2-(4-Butoxybenzoyl)hydrazinecarbothioamide (CAS 96006-52-9), with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol. IUPAC: [(4-butoxybenzoyl)amino]thiourea.
Chemical Property Profile of 2-(4-Butoxybenzoyl)hydrazinecarbothioamide
Property Insights of 2-(4-Butoxybenzoyl)hydrazinecarbothioamide
The XLogP value of 1.3435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Butoxybenzoyl)hydrazinecarbothioamide. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Butoxybenzoyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(4-Butoxybenzoyl)hydrazinecarbothioamide 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-Butoxybenzoyl)hydrazinecarbothioamide?
The CAS number of 2-(4-Butoxybenzoyl)hydrazinecarbothioamide is 96006-52-9.
What is the molecular formula of 2-(4-Butoxybenzoyl)hydrazinecarbothioamide?
The molecular formula of 2-(4-Butoxybenzoyl)hydrazinecarbothioamide is C12H17N3O2S.
What is the molecular weight of 2-(4-Butoxybenzoyl)hydrazinecarbothioamide?
The molecular weight of 2-(4-Butoxybenzoyl)hydrazinecarbothioamide is 267.10 g/mol.
Where can I buy 2-(4-Butoxybenzoyl)hydrazinecarbothioamide?
You can request a quote for 2-(4-Butoxybenzoyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Butoxybenzoyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Butoxybenzoyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.