Acetone, bis(2-chloroethyl)-, mercaptol
TL;DR: Acetone, bis(2-chloroethyl)-, mercaptol (CAS 38129-55-4) is a chemical compound with molecular formula C7H12Cl2OS2 and molecular weight 245.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-chloroethylsulfanyl)propan-2-one
Also Known As: TL 654, 1,3-bis[(2-chloroethyl)sulfanyl]propan-2-one, Acetone, bis(2-chloroethyl)-, mercaptol, KST-1B3787, Aceton-di-(
| Molecular Formula | C7H12Cl2OS2 |
|---|---|
| Molecular Weight | 245.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 245.97066 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 38129-55-4 |
|---|---|
| SMILES | C(CCl)SCC(=O)CSCCCl |
| InChIKey | IEFHROKJDKCZSB-UHFFFAOYSA-N |
Product Overview
Acetone, bis(2-chloroethyl)-, mercaptol (CAS 38129-55-4), with molecular formula C7H12Cl2OS2 and molecular weight 245.97 g/mol. IUPAC: 1,3-bis(2-chloroethylsulfanyl)propan-2-one.
Chemical Property Profile of Acetone, bis(2-chloroethyl)-, mercaptol
Property Insights of Acetone, bis(2-chloroethyl)-, mercaptol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetone, bis(2-chloroethyl)-, mercaptol. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetone, bis(2-chloroethyl)-, mercaptol. Following Lipinski's Rule of Five, Acetone, bis(2-chloroethyl)-, mercaptol has 0 hydrogen bond donor(s) and 3 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 Acetone, bis(2-chloroethyl)-, mercaptol?
The CAS number of Acetone, bis(2-chloroethyl)-, mercaptol is 38129-55-4.
What is the molecular formula of Acetone, bis(2-chloroethyl)-, mercaptol?
The molecular formula of Acetone, bis(2-chloroethyl)-, mercaptol is C7H12Cl2OS2.
What is the molecular weight of Acetone, bis(2-chloroethyl)-, mercaptol?
The molecular weight of Acetone, bis(2-chloroethyl)-, mercaptol is 245.97 g/mol.
Where can I buy Acetone, bis(2-chloroethyl)-, mercaptol?
You can request a quote for Acetone, bis(2-chloroethyl)-, mercaptol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetone, bis(2-chloroethyl)-, mercaptol?
Yes, KEHONG BIO provides custom synthesis services for Acetone, bis(2-chloroethyl)-, mercaptol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.