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CAS 6308-40-3 pyrimidine-2,4,6-trithione molecular structure lightbox
CAS RN: 6308-40-3

pyrimidine-2,4,6-trithione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS6308-40-3
  • Purity/Analytical Methods: >99.0%
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6308-40-3 / 1,3-diazinane-2,4,6-trithione

Standard CAS: 6308-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6308-40-3
Multi CAS
No
Molecular Formula
C4H4N2S3
Molecular Weight
176.300000
Exact Mass
175.953662
InChI
InChI=1S/C4H4N2S3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey
JQZIUMORZWKSFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.68
TPSA
24.06

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.6
Consensus LogP
0.52
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-3.43

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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