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CAS 102389-25-3 (5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(3-TRIFLUOROMETHYL-PHENYL)-AMINE molecular structure lightbox
CAS RN: 102389-25-3

(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(3-TRIFLUOROMETHYL-PHENYL)-AMINE

  • Product code: SSC-003668
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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: 0.25g
  • 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 102389-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

102389-25-3 / N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(3-trifluoromethyl-phenyl)-amine | N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine | N-(3-(trifluoromethyl)phenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

Standard CAS: 102389-25-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102389-25-3
Multi CAS
No
Molecular Formula
C11H11F3N2S
Molecular Weight
260.280000
Exact Mass
260.059504
SMILES
C1CN=C(SC1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C11H11F3N2S/c12-11(13,14)8-3-1-4-9(7-8)16-10-15-5-2-6-17-10/h1,3-4,7H,2,5-6H2,(H,15,16)
InChIKey
HTFGSFVRDNBLNS-UHFFFAOYSA-N
Synonyms
(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(3-trifluoromethyl-phenyl)-amine N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine N-(3-(trifluoromethyl)phenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine Enamine_004766 MLS001205975

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.44
TPSA
24.39

LogP / Solubility

WLOGP
3.61
MLOGP
3.18
XLogP3
3
Consensus LogP
3.26
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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