4-(Methylsulfinyl)phenyl nitrogen mustard
TL;DR: 4-(Methylsulfinyl)phenyl nitrogen mustard (CAS 141612-08-0) is a chemical compound with molecular formula C11H15Cl2NOS and molecular weight 279.02515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-4-methylsulfinylaniline
Also Known As: Msp-dijon, 4-(Methylsulfinyl)phenyl nitrogen mustard, N,N-bis(2-chloroethyl)-4-methylsulfinylaniline, N,N-Bis(2-chloroethyl)-4-(methylsulfinyl)benzenamine, 4-(Methylsulfinyl)-N,N-bis(2-chloroethyl)aniline
Technical Specifications
| Molecular Formula | C11H15Cl2NOS |
| Molecular Weight | 279.02515 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.02515 Da |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
| SMILES | CS(=O)C1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | YZSVINSPKHCNDD-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Methylsulfinyl)phenyl nitrogen mustard
Property Insights of 4-(Methylsulfinyl)phenyl nitrogen mustard
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfinyl)phenyl nitrogen mustard. With a topological polar surface area (TPSA) of 39.5 Ų, 4-(Methylsulfinyl)phenyl nitrogen mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylsulfinyl)phenyl nitrogen mustard 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
What is the CAS number of 4-(Methylsulfinyl)phenyl nitrogen mustard?
The CAS number of 4-(Methylsulfinyl)phenyl nitrogen mustard is 141612-08-0.
What is the molecular formula of 4-(Methylsulfinyl)phenyl nitrogen mustard?
The molecular formula of 4-(Methylsulfinyl)phenyl nitrogen mustard is C11H15Cl2NOS.
What is the molecular weight of 4-(Methylsulfinyl)phenyl nitrogen mustard?
The molecular weight of 4-(Methylsulfinyl)phenyl nitrogen mustard is 279.02515 g/mol.
Where can I buy 4-(Methylsulfinyl)phenyl nitrogen mustard?
You can request a quote for 4-(Methylsulfinyl)phenyl nitrogen mustard directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Methylsulfinyl)phenyl nitrogen mustard?
Yes, CoreyChem provides custom synthesis services for 4-(Methylsulfinyl)phenyl nitrogen mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.