8016-0954 Screening compound: 2-methyltetrahydro-1lambda~6~-thiopyran-1,1,4-trione
Chemical Structure Depiction of ChemDiv screening compound 8016-0954
2-methyltetrahydro-1lambda~6~-thiopyran-1,1,4-trione
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
8016-0954
Molecular Formula
C6H10O3S (C6 H10 O3 S)
Compound Name
2-methyltetrahydro-1lambda~6~-thiopyran-1,1,4-trione
IUPAC name
2-methyl-1lambda6-thiane-114-trione
SMILES
CC(CC(CC1)=O)S1(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
162.21
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
-0.184
Distribution Coefficient, logD
-0.184
Water Solubility, LogSw
-0.94
Polar Surface Area
42.306
Acid Dissociation Constant (pKa)
18.07
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
83.33
References: we are preparing a list of scientific research reports with 8016-0954 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)