![[(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea structure](/static/products/314/31448-87-0.png)
[(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea
TL;DR: [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea (CAS 31448-87-0) is a chemical compound with molecular formula C13H13N5OS2 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea
Also Known As: [(E)-(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methy|[(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea
| Molecular Formula | C13H13N5OS2 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 1.19039 |
| Topological Polar Surface Area | 99.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.05615 |
| Heavy Atoms | 21 |
| Complexity | 779.1389 |
Chemical Identifiers
| CAS Number | 31448-87-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)C=NNC(=S)N |
Product Overview
[(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea (CAS 31448-87-0), with molecular formula C13H13N5OS2 and molecular weight 319.06 g/mol. IUPAC: [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea.
Chemical Property Profile of [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea
Property Insights of [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea
The XLogP value of 1.19039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea. The TPSA of 99.06 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea. Following Lipinski's Rule of Five, [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea has 4 hydrogen bond donor(s) and 4 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 [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea?
The CAS number of [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea is 31448-87-0.
What is the molecular formula of [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea?
The molecular formula of [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea is C13H13N5OS2.
What is the molecular weight of [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea?
The molecular weight of [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea is 319.06 g/mol.
Where can I buy [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea?
You can request a quote for [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [(5-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.