1-(Butylsulfanyl)-3-chloropropan-2-ol
TL;DR: 1-(Butylsulfanyl)-3-chloropropan-2-ol (CAS 19017-40-4) is a chemical compound with molecular formula C7H15ClOS and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfanyl-3-chloropropan-2-ol
Also Known As: NCIOpen2_001355, 1-(butylsulfanyl)-3-chloropropan-2-ol, 1-butylsulfanyl-3-chloropropan-2-ol, 2-Propanol,1-(butylthio)-3-chloro-, KST-1B1314
| Molecular Formula | C7H15ClOS |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.0532 |
| Heavy Atoms | 10 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 19017-40-4 |
|---|---|
| SMILES | CCCCSCC(CCl)O |
| InChIKey | OUMUXJOBEAQFSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Butylsulfanyl)-3-chloropropan-2-ol (CAS 19017-40-4), with molecular formula C7H15ClOS and molecular weight 182.05 g/mol. IUPAC: 1-butylsulfanyl-3-chloropropan-2-ol.
Chemical Property Profile of 1-(Butylsulfanyl)-3-chloropropan-2-ol
Property Insights of 1-(Butylsulfanyl)-3-chloropropan-2-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Butylsulfanyl)-3-chloropropan-2-ol. With a topological polar surface area (TPSA) of 45.5 Ų, 1-(Butylsulfanyl)-3-chloropropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Butylsulfanyl)-3-chloropropan-2-ol has 1 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 1-(Butylsulfanyl)-3-chloropropan-2-ol?
The CAS number of 1-(Butylsulfanyl)-3-chloropropan-2-ol is 19017-40-4.
What is the molecular formula of 1-(Butylsulfanyl)-3-chloropropan-2-ol?
The molecular formula of 1-(Butylsulfanyl)-3-chloropropan-2-ol is C7H15ClOS.
What is the molecular weight of 1-(Butylsulfanyl)-3-chloropropan-2-ol?
The molecular weight of 1-(Butylsulfanyl)-3-chloropropan-2-ol is 182.05 g/mol.
Where can I buy 1-(Butylsulfanyl)-3-chloropropan-2-ol?
You can request a quote for 1-(Butylsulfanyl)-3-chloropropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Butylsulfanyl)-3-chloropropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Butylsulfanyl)-3-chloropropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.