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CAS 774-07-2 ETHYL 4-AMINO-2-MERCAPTOPYRIMIDINE-5-CARBOXYLATE molecular structure lightbox
CAS RN: 774-07-2

ETHYL 4-AMINO-2-MERCAPTOPYRIMIDINE-5-CARBOXYLATE

  • Product code: SSC-186948
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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: ≥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 774-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

774-07-2 / ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Standard CAS: 774-07-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
774-07-2
Multi CAS
Yes
Molecular Formula
C7H9N3O2S
Molecular Weight
199.230000
Exact Mass
199.041548
InChI
InChI=1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)
InChIKey
DKTWKRWWQKVQQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
49.79
TPSA
81

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.4
Consensus LogP
0.7
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.3

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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