3-Pentanethiol-2,2,4,4-tetramethyl-
TL;DR: 3-Pentanethiol-2,2,4,4-tetramethyl- (CAS 57602-97-8) is a chemical compound with molecular formula C9H20S and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4,4-tetramethylpentane-3-thiol
Also Known As: 3-Pentanethiol-2,2,4,4-tetramethyl-, 2,2,4,4-tetramethylpentane-3-thiol, 3-PENTANETHIOL,2,2,4,4-TETRAMETHYL-
| Molecular Formula | C9H20S |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.12857 |
| Heavy Atoms | 10 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 57602-97-8 |
|---|---|
| SMILES | CC(C)(C)C(C(C)(C)C)S |
| InChIKey | NURHHWDAGYITJM-UHFFFAOYSA-N |
Product Overview
3-Pentanethiol-2,2,4,4-tetramethyl- (CAS 57602-97-8), with molecular formula C9H20S and molecular weight 160.13 g/mol. IUPAC: 2,2,4,4-tetramethylpentane-3-thiol.
Chemical Property Profile of 3-Pentanethiol-2,2,4,4-tetramethyl-
Property Insights of 3-Pentanethiol-2,2,4,4-tetramethyl-
The XLogP value of 4.0 indicates that 3-Pentanethiol-2,2,4,4-tetramethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 3-Pentanethiol-2,2,4,4-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentanethiol-2,2,4,4-tetramethyl- 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 3-Pentanethiol-2,2,4,4-tetramethyl-?
The CAS number of 3-Pentanethiol-2,2,4,4-tetramethyl- is 57602-97-8.
What is the molecular formula of 3-Pentanethiol-2,2,4,4-tetramethyl-?
The molecular formula of 3-Pentanethiol-2,2,4,4-tetramethyl- is C9H20S.
What is the molecular weight of 3-Pentanethiol-2,2,4,4-tetramethyl-?
The molecular weight of 3-Pentanethiol-2,2,4,4-tetramethyl- is 160.13 g/mol.
Where can I buy 3-Pentanethiol-2,2,4,4-tetramethyl-?
You can request a quote for 3-Pentanethiol-2,2,4,4-tetramethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentanethiol-2,2,4,4-tetramethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentanethiol-2,2,4,4-tetramethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.