8012-2495 Screening compound: 1-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-propanol

8012-2495 Screening compound: 1-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-propanol
8012-2495 Screening compound: 1-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2495
1-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-propanol

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

8012-2495

Molecular Formula

C6H11N3OS (C6 H11 N3 OS)

Compound Name

1-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-propanol

IUPAC name

1-(4-methyl-5-sulfanyl-4H-124-triazol-3-yl)propan-2-ol

SMILES

CC(Cc(n1C)nnc1S)O

InChI

InChI=1S/C6H11N3OS/c1-4(10)3-5-7-8-6(11)9(5)2/h4,10H,3H2,1-2H3,(H,8,11)/t4-/m0/s1

InChI Key

PWHTUWSGRQLQQZ-BYPYZUCNSA-N

MDL Number (MFCD)

MFCD03160811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

173.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.603

Distribution Coefficient, logD

-1.028

Water Solubility, LogSw

0.23

Polar Surface Area

41.522

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with 8012-2495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2495?
Check Price and Availability of 8012-2495, 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 8012-2495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2495
  • 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 8012-2495 available by request