Tiocarbazil
TL;DR: Tiocarbazil (CAS 36756-79-3) is a chemical compound with molecular formula C16H25NOS and molecular weight 279.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl N,N-di(butan-2-yl)carbamothioate
Also Known As: Tiocarbazil, Triocarbazil, Tiocarbenil, DREPAMON, Thiocarbazil
| Molecular Formula | C16H25NOS |
|---|---|
| Molecular Weight | 279.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.16568 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 36756-79-3 |
|---|---|
| SMILES | CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1 |
| InChIKey | PHSUVQBHRAWOQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tiocarbazil (CAS 36756-79-3), with molecular formula C16H25NOS and molecular weight 279.17 g/mol. IUPAC: S-benzyl N,N-di(butan-2-yl)carbamothioate.
Chemical Property Profile of Tiocarbazil
Property Insights of Tiocarbazil
The XLogP value of 4.4 indicates that Tiocarbazil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Tiocarbazil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tiocarbazil has 0 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 Tiocarbazil?
The CAS number of Tiocarbazil is 36756-79-3.
What is the molecular formula of Tiocarbazil?
The molecular formula of Tiocarbazil is C16H25NOS.
What is the molecular weight of Tiocarbazil?
The molecular weight of Tiocarbazil is 279.17 g/mol.
Where can I buy Tiocarbazil?
You can request a quote for Tiocarbazil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiocarbazil?
Yes, KEHONG BIO provides custom synthesis services for Tiocarbazil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.