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CAS 27106-14-5 5-(2-FURYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL molecular structure lightbox
CAS RN: 27106-14-5

5-(2-FURYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL

  • Product code: SSC-125891
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27106-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

27106-14-5 / 3-(furan-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione

Standard CAS: 27106-14-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27106-14-5
Multi CAS
Yes
Molecular Formula
C7H7N3OS
Molecular Weight
181.220000
Exact Mass
181.030983
InChI
InChI=1S/C7H7N3OS/c1-10-6(8-9-7(10)12)5-3-2-4-11-5/h2-4H,1H3,(H,9,12)
InChIKey
DGJGYKBNBLOGSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.09
TPSA
46.75

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1
Consensus LogP
1.42
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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