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CAS 770-30-9 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE molecular structure lightbox
CAS RN: 770-30-9

4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251117 10g In stock Inquiry
Batchno.20251014 1g In stock Inquiry
Batchno.20251116 25g In stock Inquiry
Batchno.20250421 5g In stock Inquiry
  • Product code: SSC-186493
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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: 25g
  • Available purity: ＞97%
  • 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 770-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

770-30-9 / 4-amino-2-methylsulfanylpyrimidine-5-carbonitrile

Standard CAS: 770-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
770-30-9
Multi CAS
No
Molecular Formula
C6H6N4S
Molecular Weight
166.210000
Exact Mass
166.031317
InChI
InChI=1S/C6H6N4S/c1-11-6-9-3-4(2-7)5(8)10-6/h3H,1H3,(H2,8,9,10)
InChIKey
VYDHBDPZNLVELI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.94
TPSA
75.59

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
1
Consensus LogP
0.74
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.27

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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