(1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物
TL;DR: (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物 (CAS 143788-52-7) is a chemical compound with molecular formula C8H8OS2 and molecular weight 184.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物
(2S)-2-methyl-1λ4,3-benzodithiole 1-oxide
Also Known As: (2S)-2-methyl-1, 2beta-Methyl-1,3-benzodithiol 1-oxide, 1,3-Benzodithiole, 2-methyl-, 1-oxide, (1S-trans)-, 2-Methyl-1,3lambda~4~-benzodithiol-1(2H)-one, (2S)-2-Methyl-1lambda~4~,3-benzodithiol-1(2H)-one
| Molecular Formula | C8H8OS2 |
|---|---|
| Molecular Weight | 184.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.00166 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 143788-52-7 |
|---|---|
| SMILES | C[C@H]1SC2=CC=CC=C2S1=O |
| InChIKey | ROEQPRNLZVTHLP-OCAOPBLFSA-N |
Product Overview
(1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物 (CAS 143788-52-7), with molecular formula C8H8OS2 and molecular weight 184.00 g/mol. IUPAC: (2S)-2-methyl-1λ4,3-benzodithiole 1-oxide.
Chemical Property Profile of (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物
Property Insights of (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物. Following Lipinski's Rule of Five, (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物 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 (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物?
The CAS number of (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物 is 143788-52-7.
What is the molecular formula of (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物?
The molecular formula of (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物 is C8H8OS2.
What is the molecular weight of (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物?
The molecular weight of (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物 is 184.00 g/mol.
Where can I buy (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物?
You can request a quote for (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for (1S-反式)-2-甲基-1,3-苯并二硫戊环1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.