1668-0359 Screening compound: ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate

1668-0359 Screening compound: ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate
1668-0359 Screening compound: ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1668-0359
ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate

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

1668-0359

Molecular Formula

C12H19NS2 (C12 H19 NS2)

Compound Name

ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate

IUPAC name

ethyl 4-ethyl-5-propyl-1H-pyrrole-2-carbodithioate

SMILES

CCCc1c(CC)cc(C(SCC)=S)[nH]1

InChI

InChI=1S/C12H19NS2/c1-4-7-10-9(5-2)8-11(13-10)12(14)15-6-3/h8,13H,4-7H2,1-3H3

InChI Key

LZFXLGVXQIXUCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.36

Polar Surface Area

11.138

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

References: we are preparing a list of scientific research reports with 1668-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1668-0359?
Check Price and Availability of 1668-0359, 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 1668-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1668-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1668-0359
  • 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 1668-0359 available by request