4-(Propan-2-yl)benzene-1-carbothioamide
TL;DR: 4-(Propan-2-yl)benzene-1-carbothioamide (CAS 53515-20-1) is a chemical compound with molecular formula C10H13NS and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylbenzenecarbothioamide
Also Known As: 4-isopropylbenzenecarbothioamide, 4-Isopropylbenzothioamide, 4-(propan-2-yl)benzene-1-carbothioamide, 4-propan-2-ylbenzenecarbothioamide, 4-isopropylthiobenzamide
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 2.4442 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 274.395 |
Chemical Identifiers
| CAS Number | 53515-20-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=S)N |
Product Overview
4-(Propan-2-yl)benzene-1-carbothioamide (CAS 53515-20-1), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: 4-propan-2-ylbenzenecarbothioamide.
Chemical Property Profile of 4-(Propan-2-yl)benzene-1-carbothioamide
Property Insights of 4-(Propan-2-yl)benzene-1-carbothioamide
The XLogP value of 2.4442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Propan-2-yl)benzene-1-carbothioamide. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(Propan-2-yl)benzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Propan-2-yl)benzene-1-carbothioamide has 1 hydrogen bond donor(s) and 1 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-(Propan-2-yl)benzene-1-carbothioamide?
The CAS number of 4-(Propan-2-yl)benzene-1-carbothioamide is 53515-20-1.
What is the molecular formula of 4-(Propan-2-yl)benzene-1-carbothioamide?
The molecular formula of 4-(Propan-2-yl)benzene-1-carbothioamide is C10H13NS.
What is the molecular weight of 4-(Propan-2-yl)benzene-1-carbothioamide?
The molecular weight of 4-(Propan-2-yl)benzene-1-carbothioamide is 179.08 g/mol.
Where can I buy 4-(Propan-2-yl)benzene-1-carbothioamide?
You can request a quote for 4-(Propan-2-yl)benzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Propan-2-yl)benzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Propan-2-yl)benzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.