1-Propan-2-ylsulfanylbuta-1,3-diene
TL;DR: 1-Propan-2-ylsulfanylbuta-1,3-diene (CAS 88017-34-9) is a chemical compound with molecular formula C7H12S and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-ylsulfanylbuta-1,3-diene
Also Known As: 1-propan-2-ylsulfanylbuta-1,3-diene, 1-[(Propan-2-yl)sulfanyl]buta-1,3-diene, 1,3-Butadiene, 1-[(1-methylethyl)thio]-, (E)-
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 88017-34-9 |
|---|---|
| SMILES | CC(C)SC=CC=C |
| InChIKey | CKTOFLRNHSXLQS-UHFFFAOYSA-N |
Product Overview
1-Propan-2-ylsulfanylbuta-1,3-diene (CAS 88017-34-9), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 1-propan-2-ylsulfanylbuta-1,3-diene.
Chemical Property Profile of 1-Propan-2-ylsulfanylbuta-1,3-diene
Property Insights of 1-Propan-2-ylsulfanylbuta-1,3-diene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propan-2-ylsulfanylbuta-1,3-diene. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Propan-2-ylsulfanylbuta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propan-2-ylsulfanylbuta-1,3-diene has 0 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 1-Propan-2-ylsulfanylbuta-1,3-diene?
The CAS number of 1-Propan-2-ylsulfanylbuta-1,3-diene is 88017-34-9.
What is the molecular formula of 1-Propan-2-ylsulfanylbuta-1,3-diene?
The molecular formula of 1-Propan-2-ylsulfanylbuta-1,3-diene is C7H12S.
What is the molecular weight of 1-Propan-2-ylsulfanylbuta-1,3-diene?
The molecular weight of 1-Propan-2-ylsulfanylbuta-1,3-diene is 128.07 g/mol.
Where can I buy 1-Propan-2-ylsulfanylbuta-1,3-diene?
You can request a quote for 1-Propan-2-ylsulfanylbuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propan-2-ylsulfanylbuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 1-Propan-2-ylsulfanylbuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.