[email protected]
CAS 59488-39-0 Ethane, 1,1,1-trifluoro-2-isothiocyanato- molecular structure lightbox
CAS RN: 59488-39-0

Ethane, 1,1,1-trifluoro-2-isothiocyanato-

  • Product code: SSC-167951
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 0.1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 59488-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

59488-39-0 / 1,1,1-trifluoro-2-isothiocyanatoethane

Standard CAS: 59488-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59488-39-0
Multi CAS
No
Molecular Formula
C3F3H2NS
Molecular Weight
141.120000
Exact Mass
140.986005
InChI
InChI=1S/C3H2F3NS/c4-3(5,6)1-7-2-8/h1H2
InChIKey
GOXVPASJCHROBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
25.95
TPSA
12.36

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
2.7
Consensus LogP
1.93
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.41

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

Customers Also Viewed

Get In Touch

Contact Us