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CAS 220640-14-2 N-methyltetrahydro-2H-thiopyran-4-amine(SALTDATA: HCl) molecular structure lightbox
CAS RN: 220640-14-2

N-methyltetrahydro-2H-thiopyran-4-amine(SALTDATA: HCl)

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260112 1g In stock Shanghai Inquiry
Batchno.20250615 250mg In stock Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251201 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS220640-14-2
  • Purity/Analytical Methods: >99.0%
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220640-14-2 / N-methylthian-4-amine

Standard CAS: 220640-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220640-14-2
Multi CAS
No
Molecular Formula
C6H13NS
Molecular Weight
131.240000
Exact Mass
131.076871
SMILES
CNC1CCSCC1
InChI
InChI=1S/C6H13NS/c1-7-6-2-4-8-5-3-6/h6-7H,2-5H2,1H3
InChIKey
ZPKZOGQAVBTWOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.41
TPSA
12.03

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.74

Drug-likeness / Medicinal Chemistry

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

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