8009-7699 Screening compound: N~1~-phenyl-2-[2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]-1-hydrazinecarbothioamide

8009-7699 Screening compound: N~1~-phenyl-2-[2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]-1-hydrazinecarbothioamide
8009-7699 Screening compound: N~1~-phenyl-2-[2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7699
N~1~-phenyl-2-[2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]-1-hydrazinecarbothioamide

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

8009-7699

Molecular Formula

C13H11N3S6 (C13 H11 N3 S6)

Compound Name

N~1~-phenyl-2-[2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-yliden]-1-hydrazinecarbothioamide

IUPAC name

1-phenyl-3-({2-sulfanylidene-2H5H6H7H-[13]dithiolo[45-b][14]dithiepin-6-ylidene}amino)thiourea

SMILES

S=C(Nc1ccccc1)NN=C1CSC(SC(S2)=S)=C2SC1

InChI

InChI=1S/C13H11N3S6/c17-12(14-8-4-2-1-3-5-8)16-15-9-6-19-10-11(20-7-9)22-13(18)21-10/h1-5H,6-7H2,(H2,14,16,17)

InChI Key

ZVGYLFJGUNVASP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-5.43

Polar Surface Area

32.132

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with 8009-7699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7699?
Check Price and Availability of 8009-7699, 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 8009-7699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7699
  • 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 8009-7699 available by request