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CAS 609354-98-5 2-[(TRIFLUOROMETHYL)THIO]ETHANAMINE molecular structure lightbox
CAS RN: 609354-98-5

2-[(TRIFLUOROMETHYL)THIO]ETHANAMINE

  • Product code: SSC-169625
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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: 1g
  • 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 609354-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

609354-98-5 / 2-(trifluoromethylsulfanyl)ethanamine

Standard CAS: 609354-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
609354-98-5
Multi CAS
No
Molecular Formula
C3F3H6NS
Molecular Weight
145.150000
Exact Mass
145.017305
InChI
InChI=1S/C3H6F3NS/c4-3(5,6)8-2-1-7/h1-2,7H2
InChIKey
PQTQMKOWDYNUNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
27.57
TPSA
26.02

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
1.1
Consensus LogP
1.12
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.75

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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