2-Isopropylthiouracil
TL;DR: 2-Isopropylthiouracil (CAS 73471-98-4) 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.
2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
Also Known As: 2-Isopropylthiouracil, 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one, 4(3H)-Pyrimidinone, 2-[(1-methylethyl)thio]-, 2-(Isopropylsulfanyl)-4(3H)-pyrimidinone #, 2-[(1-Methylethyl)thio]-4(1H)-pyrimidinone
| Molecular Formula | C7H10N2OS |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05139 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 73471-98-4 |
|---|---|
| SMILES | CC(C)SC1=NC=CC(=O)N1 |
| InChIKey | AXXVQEROTLLRBU-UHFFFAOYSA-N |
Product Overview
2-Isopropylthiouracil (CAS 73471-98-4), with molecular formula C7H10N2OS and molecular weight 170.05 g/mol. IUPAC: 2-propan-2-ylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Isopropylthiouracil
Property Insights of 2-Isopropylthiouracil
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropylthiouracil. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropylthiouracil. Following Lipinski's Rule of Five, 2-Isopropylthiouracil has 1 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-Isopropylthiouracil?
The CAS number of 2-Isopropylthiouracil is 73471-98-4.
What is the molecular formula of 2-Isopropylthiouracil?
The molecular formula of 2-Isopropylthiouracil is C7H10N2OS.
What is the molecular weight of 2-Isopropylthiouracil?
The molecular weight of 2-Isopropylthiouracil is 170.05 g/mol.
Where can I buy 2-Isopropylthiouracil?
You can request a quote for 2-Isopropylthiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropylthiouracil?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropylthiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.