4-Isopropylthiouracil
TL;DR: 4-Isopropylthiouracil (CAS 73472-00-1) is a chemical compound with molecular formula C7H10N2OS and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propan-2-ylsulfanyl-1H-pyrimidin-2-one
Also Known As: 4-Isopropylthiouracil, 6-propan-2-ylsulfanyl-1H-pyrimidin-2-one, 2(1H)-Pyrimidinone, 6-[(1-methylethyl)thio]-, 4-(Isopropylsulfanyl)-2(1H)-pyrimidinone #, 4-[(1-Methylethyl)thio]-2(1H)-pyrimidinone
| Molecular Formula | C7H10N2OS |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05139 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 73472-00-1 |
|---|---|
| SMILES | CC(C)SC1=CC=NC(=O)N1 |
| InChIKey | PMUVBXOUEUEAFT-UHFFFAOYSA-N |
Product Overview
4-Isopropylthiouracil (CAS 73472-00-1), with molecular formula C7H10N2OS and molecular weight 170.05 g/mol. IUPAC: 6-propan-2-ylsulfanyl-1H-pyrimidin-2-one.
Chemical Property Profile of 4-Isopropylthiouracil
Property Insights of 4-Isopropylthiouracil
The XLogP value of -0.3 indicates that 4-Isopropylthiouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isopropylthiouracil. Following Lipinski's Rule of Five, 4-Isopropylthiouracil has 1 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 4-Isopropylthiouracil?
The CAS number of 4-Isopropylthiouracil is 73472-00-1.
What is the molecular formula of 4-Isopropylthiouracil?
The molecular formula of 4-Isopropylthiouracil is C7H10N2OS.
What is the molecular weight of 4-Isopropylthiouracil?
The molecular weight of 4-Isopropylthiouracil is 170.05 g/mol.
Where can I buy 4-Isopropylthiouracil?
You can request a quote for 4-Isopropylthiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylthiouracil?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylthiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.