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CAS 1013027-27-4 1-Vinylimidazole Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 1013027-27-4

1-Vinylimidazole Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-002152
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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: 5g
  • 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 1013027-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

1013027-27-4 / 1-ethenylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

vinylimidazolium bis[(trifluoromethyl)sulfonyl]amide | SXYGQZAWCDUEIN-UHFFFAOYSA-O | SB66514

Standard CAS: 1013027-27-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1013027-27-4
Multi CAS
Yes
Molecular Formula
C7H7F6N3O4S2
Molecular Weight
375.300000
Exact Mass
374.978217
SMILES
C=CN1C=CN=C1.C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C5H6N2.C2HF6NO4S2/c1-2-7-4-3-6-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H,1H2;9H
InChIKey
OVFZHDDKAVGFIS-UHFFFAOYSA-N
Synonyms
vinylimidazolium bis[(trifluoromethyl)sulfonyl]amide SXYGQZAWCDUEIN-UHFFFAOYSA-O SB66514 V0145 1-Vinyl-3-H-imidazolium bis(trifluoromethylsulfonyl)imide

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
61.7
TPSA
98.13

LogP / Solubility

WLOGP
1.26
MLOGP
1.13
XLogP3
1.26
Consensus LogP
1.22
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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