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CAS 89079-62-9 4-Methyl-2-(methylthio)-5-pyrimidinecarbonitrile molecular structure lightbox
CAS RN: 89079-62-9

4-Methyl-2-(methylthio)-5-pyrimidinecarbonitrile

  • Product code: SSC-200930
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 89079-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

89079-62-9 / 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile

Standard CAS: 89079-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89079-62-9
Multi CAS
No
Molecular Formula
C7H7N3S
Molecular Weight
165.220000
Exact Mass
165.036068
InChI
InChI=1S/C7H7N3S/c1-5-6(3-8)4-9-7(10-5)11-2/h4H,1-2H3
InChIKey
MOLWXTRTWIEVJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.27
TPSA
49.57

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.75

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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