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CAS 64679-65-8 5-methyl-1H-1,2,4-triazol-s-yl)thio}-acetic acid molecular structure lightbox
CAS RN: 64679-65-8

5-methyl-1H-1,2,4-triazol-s-yl)thio}-acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 100mg / 250mg / 1g Out of stock 30 business days Inquiry
  • Product code: SSC-174369
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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: 0.1g
  • 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 64679-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shenzhen Inquiry

64679-65-8 / 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid

Standard CAS: 64679-65-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64679-65-8
Multi CAS
Yes
Molecular Formula
C5H7N3O2S
Molecular Weight
173.200000
Exact Mass
173.025898
InChI
InChI=1S/C5H7N3O2S/c1-3-6-5(8-7-3)11-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKey
OJUNWHNRDPRNBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.48
TPSA
78.87

LogP / Solubility

WLOGP
0.29
MLOGP
0.25
XLogP3
0.8
Consensus LogP
0.45
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

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

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