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CAS 84030-21-7 TETRABUTYLAMMONIUM HYDROGEN SULFIDE molecular structure lightbox
CAS RN: 84030-21-7

TETRABUTYLAMMONIUM HYDROGEN SULFIDE

  • Product code: SSC-191657
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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 84030-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

84030-21-7 / sulfanide;tetrabutylazanium

Standard CAS: 84030-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84030-21-7
Multi CAS
Yes
Molecular Formula
C16H37NS
Molecular Weight
275.500000
Exact Mass
275.264671
InChI
InChI=1S/C16H36N.H2S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1
InChIKey
AMVCMHXBGWPOTF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.12
TPSA
1.0000

LogP / Solubility

WLOGP
4.73
MLOGP
4.17
XLogP3
4.73
Consensus LogP
4.54
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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