Benzenecarbothioamide, N-(1-methylethyl)-
TL;DR: Benzenecarbothioamide, N-(1-methylethyl)- (CAS 5310-15-6) 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.
N-propan-2-ylbenzenecarbothioamide
Also Known As: N-Isopropylbenzothioamide, N-Isopropylbenzenecarbothioamide, N-propan-2-ylbenzenecarbothioamide, Benzenecarbothioamide, N-(1-methylethyl)-, N-(propan-2-yl)benzenecarbothioamide
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 2.3601 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 253.8009 |
Chemical Identifiers
| CAS Number | 5310-15-6 |
|---|---|
| SMILES | CC(C)NC(=S)C1=CC=CC=C1 |
Product Overview
Benzenecarbothioamide, N-(1-methylethyl)- (CAS 5310-15-6), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: N-propan-2-ylbenzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, N-(1-methylethyl)-
Property Insights of Benzenecarbothioamide, N-(1-methylethyl)-
The XLogP value of 2.3601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, N-(1-methylethyl)-. With a topological polar surface area (TPSA) of 12.03 Ų, Benzenecarbothioamide, N-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, N-(1-methylethyl)- 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 Benzenecarbothioamide, N-(1-methylethyl)-?
The CAS number of Benzenecarbothioamide, N-(1-methylethyl)- is 5310-15-6.
What is the molecular formula of Benzenecarbothioamide, N-(1-methylethyl)-?
The molecular formula of Benzenecarbothioamide, N-(1-methylethyl)- is C10H13NS.
What is the molecular weight of Benzenecarbothioamide, N-(1-methylethyl)-?
The molecular weight of Benzenecarbothioamide, N-(1-methylethyl)- is 179.08 g/mol.
Where can I buy Benzenecarbothioamide, N-(1-methylethyl)-?
You can request a quote for Benzenecarbothioamide, N-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, N-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, N-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.