![1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea structure](/static/products/917/91708-30-4.png)
1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea
TL;DR: 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea (CAS 91708-30-4) is a chemical compound with molecular formula C10H13BrN4OS2 and molecular weight 347.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea
Also Known As: BAS 00327971, 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea, N-(3-bromo-4-methoxybenzyl)hydrazine-1,2-dicarbothioamide, N1-(3-bromo-4-methoxybenzyl)hydrazine-1,2-bis(carbothioamide)
| Molecular Formula | C10H13BrN4OS2 |
|---|---|
| Molecular Weight | 347.97 g/mol |
| LogP | 1.17 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.9714 |
| Heavy Atoms | 18 |
| Complexity | 455.50388 |
Chemical Identifiers
| CAS Number | 91708-30-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=S)NNC(=S)N)Br |
Product Overview
1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea (CAS 91708-30-4), with molecular formula C10H13BrN4OS2 and molecular weight 347.97 g/mol. IUPAC: 1-[(3-bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea.
Chemical Property Profile of 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea
Property Insights of 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea
The XLogP value of 1.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea. Following Lipinski's Rule of Five, 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea has 4 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 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea?
The CAS number of 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea is 91708-30-4.
What is the molecular formula of 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea?
The molecular formula of 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea is C10H13BrN4OS2.
What is the molecular weight of 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea?
The molecular weight of 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea is 347.97 g/mol.
Where can I buy 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea?
You can request a quote for 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Bromo-4-methoxyphenyl)methyl]-3-(carbamothioylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.