8008-8812 Screening compound: 2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2-thione

8008-8812 Screening compound: 2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2-thione
8008-8812 Screening compound: 2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8812
2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2-thione

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

8008-8812

Molecular Formula

C6H6S5 (C6 H6 S5)

Compound Name

2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2-thione

IUPAC name

2H5H6H7H-[13]dithiolo[45-b][14]dithiepine-2-thione

SMILES

S=C(S1)SC2=C1SCCCS2

InChI

InChI=1S/C6H6S5/c7-6-10-4-5(11-6)9-3-1-2-8-4/h1-3H2

InChI Key

DOEVIAQPIMUTRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00137886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-3.96

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8008-8812 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-8812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8812?
Check Price and Availability of 8008-8812, 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 8008-8812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8812
  • 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 8008-8812 available by request