6253-0269 Screening compound: 2-methyl-1-(methylsulfanyl)isoquinolin-2-ium
Chemical Structure Depiction of ChemDiv screening compound 6253-0269
2-methyl-1-(methylsulfanyl)isoquinolin-2-ium
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
6253-0269
Molecular Formula
C11H12NS (C11 H12 NS)
Compound Name
2-methyl-1-(methylsulfanyl)isoquinolin-2-ium
IUPAC name
2-methyl-1-(methylsulfanyl)isoquinolin-2-ium
SMILES
C[n+](ccc1ccccc11)c1SC
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
190.29
Hydrogen Bond Acceptors Count
1.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
1
Partition Coefficient, logP
2.988
Distribution Coefficient, logD
2.988
Water Solubility, LogSw
-3.08
Polar Surface Area
2.362
Acid Dissociation Constant (pKa)
28.57
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.20
References: we are preparing a list of scientific research reports with 6253-0269 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)