0233-0056 Screening compound: 1-nitro-4-[(trifluoromethyl)sulfanyl]benzene

0233-0056 Screening compound: 1-nitro-4-[(trifluoromethyl)sulfanyl]benzene
0233-0056 Screening compound: 1-nitro-4-[(trifluoromethyl)sulfanyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0233-0056
1-nitro-4-[(trifluoromethyl)sulfanyl]benzene

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

0233-0056

Molecular Formula

C7H4F3NO2S (C7 H4 F3 NO2 S)

Compound Name

1-nitro-4-[(trifluoromethyl)sulfanyl]benzene

IUPAC name

1-nitro-4-[(trifluoromethyl)sulfanyl]benzene

SMILES

[O-][N+](c(cc1)ccc1SC(F)(F)F)=O

InChI

InChI=1S/C7H4F3NO2S/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

InChI Key

ILLBHPYCTYQBQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00041012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.17

Polar Surface Area

33.620

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 0233-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0233-0056?
Check Price and Availability of 0233-0056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0233-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0233-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0233-0056
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0233-0056 available by request