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CAS 33860-28-5 4-METHYLPIPERAZINE-1-CARBOTHIOAMIDE molecular structure lightbox
CAS RN: 33860-28-5

4-METHYLPIPERAZINE-1-CARBOTHIOAMIDE

  • Product code: SSC-140020
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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: 5g
  • 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 33860-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

33860-28-5 / 4-methylpiperazine-1-carbothioamide

Standard CAS: 33860-28-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33860-28-5
Multi CAS
No
Molecular Formula
C6H13N3S
Molecular Weight
159.260000
Exact Mass
159.083019
InChI
InChI=1S/C6H13N3S/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3,(H2,7,10)
InChIKey
QFACSDPLAUCZBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.86
TPSA
32.5

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.46
XLogP3
-0.4
Consensus LogP
-0.46
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.06

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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