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CAS 214834-18-1 tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate molecular structure lightbox
CAS RN: 214834-18-1

tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250422 1g / 5g / 25g / 100g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-103001
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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: 10g
  • 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 214834-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

214834-18-1 / tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Standard CAS: 214834-18-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214834-18-1
Multi CAS
No
Molecular Formula
C11H20N2O2S
Molecular Weight
244.360000
Exact Mass
244.124549
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N
InChI
InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
InChIKey
SCGQNJHAAYUQOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.32
TPSA
55.56

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.1
Consensus LogP
1.57
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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