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CAS 60458-71-1 (4,6-DIMETHYL-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE molecular structure lightbox
CAS RN: 60458-71-1

(4,6-DIMETHYL-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE

  • Product code: SSC-169028
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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: 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 60458-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

60458-71-1 / 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide

Standard CAS: 60458-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60458-71-1
Multi CAS
No
Molecular Formula
C8H12N4OS
Molecular Weight
212.270000
Exact Mass
212.073182
InChI
InChI=1S/C8H12N4OS/c1-5-3-6(2)11-8(10-5)14-4-7(13)12-9/h3H,4,9H2,1-2H3,(H,12,13)
InChIKey
RLCZMVPGNOZVLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
54.56
TPSA
80.9

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.4
Consensus LogP
0.25
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89

Drug-likeness / Medicinal Chemistry

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

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