2-Butanethiol, 2,3-dimethyl-
TL;DR: 2-Butanethiol, 2,3-dimethyl- (CAS 1639-01-6) is a chemical compound with molecular formula CC(C)C(C)(C)S and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylbutane-2-thiol
Also Known As: 2,3-dimethylbutane-2-thiol, 2,3-Dimethyl-2-butanethiol, Norethisterone, thexyl mercaptan, 2-Butanethiol, 2,3-dimethyl-
| Molecular Formula | CC(C)C(C)(C)S |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.08162 |
| Heavy Atoms | 7 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 1639-01-6 |
|---|---|
| SMILES | CC(C)C(C)(C)S |
| InChIKey | CRJLQECEGNIMNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanethiol, 2,3-dimethyl- (CAS 1639-01-6), with molecular formula CC(C)C(C)(C)S and molecular weight 118.08 g/mol. IUPAC: 2,3-dimethylbutane-2-thiol.
Chemical Property Profile of 2-Butanethiol, 2,3-dimethyl-
Property Insights of 2-Butanethiol, 2,3-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanethiol, 2,3-dimethyl-. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Butanethiol, 2,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanethiol, 2,3-dimethyl- 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-Butanethiol, 2,3-dimethyl-?
The CAS number of 2-Butanethiol, 2,3-dimethyl- is 1639-01-6.
What is the molecular formula of 2-Butanethiol, 2,3-dimethyl-?
The molecular formula of 2-Butanethiol, 2,3-dimethyl- is CC(C)C(C)(C)S.
What is the molecular weight of 2-Butanethiol, 2,3-dimethyl-?
The molecular weight of 2-Butanethiol, 2,3-dimethyl- is 118.08 g/mol.
Where can I buy 2-Butanethiol, 2,3-dimethyl-?
You can request a quote for 2-Butanethiol, 2,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanethiol, 2,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanethiol, 2,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.