2,2-二甲基丙硫醇
TL;DR: 2,2-二甲基丙硫醇 (CAS 1679-08-9) is a chemical compound with molecular formula C5H12S and molecular weight 104.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二甲基丙硫醇
2,2-dimethylpropane-1-thiol
Also Known As: 2,2-dimethylpropane-1-thiol, Neopentyl mercaptan, 2,2-Dimethylpropanethiol, 2,2-Dimethyl-1-propanethiol, 1-Propanethiol,2,2-dimethyl-
| Molecular Formula | C5H12S |
|---|---|
| Molecular Weight | 104.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.06597 |
| Heavy Atoms | 6 |
| Complexity | 33.0 |
Chemical Identifiers
| CAS Number | 1679-08-9 |
|---|---|
| SMILES | CC(C)(C)CS |
| InChIKey | LSUXMVNABVPWMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二甲基丙硫醇 (CAS 1679-08-9), with molecular formula C5H12S and molecular weight 104.07 g/mol. IUPAC: 2,2-dimethylpropane-1-thiol.
Chemical Property Profile of 2,2-二甲基丙硫醇
Property Insights of 2,2-二甲基丙硫醇
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基丙硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 2,2-二甲基丙硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基丙硫醇 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 2,2-二甲基丙硫醇?
The CAS number of 2,2-二甲基丙硫醇 is 1679-08-9.
What is the molecular formula of 2,2-二甲基丙硫醇?
The molecular formula of 2,2-二甲基丙硫醇 is C5H12S.
What is the molecular weight of 2,2-二甲基丙硫醇?
The molecular weight of 2,2-二甲基丙硫醇 is 104.07 g/mol.
Where can I buy 2,2-二甲基丙硫醇?
You can request a quote for 2,2-二甲基丙硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基丙硫醇?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基丙硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.