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CAS 52767-84-7 2-MERCAPTO-5-N-PROPYLPYRIMIDINE molecular structure lightbox
CAS RN: 52767-84-7

2-MERCAPTO-5-N-PROPYLPYRIMIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS52767-84-7
  • Purity/Analytical Methods: >99.0%
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52767-84-7 / 5-propyl-1H-pyrimidine-2-thione

Standard CAS: 52767-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52767-84-7
Multi CAS
No
Molecular Formula
C7H10N2S
Molecular Weight
154.240000
Exact Mass
154.056470
InChI
InChI=1S/C7H10N2S/c1-2-3-6-4-8-7(10)9-5-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKey
YZFGTZRDMRKBBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.42
TPSA
28.68

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.2
Consensus LogP
1.71
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.18

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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