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CAS 35071-17-1 2-MERCAPTO-4-METHYLPYRIMIDINE molecular structure lightbox
CAS RN: 35071-17-1

2-MERCAPTO-4-METHYLPYRIMIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS35071-17-1
  • Purity/Analytical Methods: >99.0%
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35071-17-1 / 6-methyl-1H-pyrimidine-2-thione

Standard CAS: 35071-17-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35071-17-1
Multi CAS
Yes
Molecular Formula
C5H6N2S
Molecular Weight
126.180000
Exact Mass
126.025169
InChI
InChI=1S/C5H6N2S/c1-4-2-3-6-5(8)7-4/h2-3H,1H3,(H,6,7,8)
InChIKey
BVPHXTUEZOQIBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.16
TPSA
28.68

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
-0.9
Consensus LogP
0.61
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.46

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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