S-(3-nitrophenyl) chloromethanethioate
TL;DR: S-(3-nitrophenyl) chloromethanethioate (CAS 64459-38-7) is a chemical compound with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-nitrophenyl) chloromethanethioate
Also Known As: 3-NITROPHENYL CHLOROTHIOFORMATE, S-(3-nitrophenyl) chloromethanethioate
| Molecular Formula | C7H4ClNO3S |
|---|---|
| Molecular Weight | 216.96 g/mol |
| LogP | 3.0457 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.96004 |
| Heavy Atoms | 13 |
| Complexity | 355.34583 |
Chemical Identifiers
| CAS Number | 64459-38-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(=O)Cl)[N+](=O)[O-] |
Product Overview
S-(3-nitrophenyl) chloromethanethioate (CAS 64459-38-7), with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol. IUPAC: S-(3-nitrophenyl) chloromethanethioate.
Chemical Property Profile of S-(3-nitrophenyl) chloromethanethioate
Property Insights of S-(3-nitrophenyl) chloromethanethioate
The XLogP value of 3.0457 indicates that S-(3-nitrophenyl) chloromethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3-nitrophenyl) chloromethanethioate. Following Lipinski's Rule of Five, S-(3-nitrophenyl) chloromethanethioate has 0 hydrogen bond donor(s) and 4 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 S-(3-nitrophenyl) chloromethanethioate?
The CAS number of S-(3-nitrophenyl) chloromethanethioate is 64459-38-7.
What is the molecular formula of S-(3-nitrophenyl) chloromethanethioate?
The molecular formula of S-(3-nitrophenyl) chloromethanethioate is C7H4ClNO3S.
What is the molecular weight of S-(3-nitrophenyl) chloromethanethioate?
The molecular weight of S-(3-nitrophenyl) chloromethanethioate is 216.96 g/mol.
Where can I buy S-(3-nitrophenyl) chloromethanethioate?
You can request a quote for S-(3-nitrophenyl) chloromethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-nitrophenyl) chloromethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(3-nitrophenyl) chloromethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.