![1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol structure](/static/products/1216/121690-13-9.webp)
1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol
TL;DR: 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol (CAS 121690-13-9) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylphenyl)-2H-tetrazole-5-thione
Also Known As: 1-(4-isopropylphenyl)-1H-tetrazole-5-thiol, 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol, 1-(4-propan-2-ylphenyl)-2H-tetrazole-5-thione, 1-(4-isopropylphenyl)-2H-tetrazole-5-thione, 1-4-(Propan-2-yl)phenyl-1H-1,2,3,4-tetrazole-5-thiol
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 2.44829 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07826 |
| Heavy Atoms | 15 |
| Complexity | 494.641 |
Chemical Identifiers
| CAS Number | 121690-13-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N2C(=S)N=NN2 |
Product Overview
1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol (CAS 121690-13-9), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: 1-(4-propan-2-ylphenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol
Property Insights of 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol
The XLogP value of 2.44829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol. With a topological polar surface area (TPSA) of 46.5 Ų, 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol 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 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol?
The CAS number of 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol is 121690-13-9.
What is the molecular formula of 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol?
The molecular formula of 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol is C10H12N4S.
What is the molecular weight of 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol?
The molecular weight of 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol is 220.08 g/mol.
Where can I buy 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol?
You can request a quote for 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.