6232-2849 Screening compound: 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol

6232-2849 Screening compound: 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol
6232-2849 Screening compound: 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-2849
5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol

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

6232-2849

Molecular Formula

C11H12N2S2 (C11 H12 N2 S2)

Compound Name

5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol

IUPAC name

56-dimethyl-4-phenyl-4H-134-thiadiazine-2-thiol

SMILES

CC1=C(C)SC(S)=NN1c1ccccc1

InChI

InChI=1S/C11H12N2S2/c1-8-9(2)15-11(14)12-13(8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,14)

InChI Key

VDDABKUUDWBHFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02039511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

-2.316

Water Solubility, LogSw

-3.10

Polar Surface Area

13.156

Acid Dissociation Constant (pKa)

3.54

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6232-2849 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6232-2849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-2849?
Check Price and Availability of 6232-2849, 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 6232-2849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-2849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-2849
  • 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 6232-2849 available by request