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CAS 76105-84-5 Pyridine, 4-isothiocyanato- (9CI) molecular structure lightbox
CAS RN: 76105-84-5

Pyridine, 4-isothiocyanato- (9CI)

  • Product code: SSC-185553
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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: 5g, 1g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 76105-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Shenzhen Inquiry

76105-84-5 / 4-isothiocyanatopyridine

Standard CAS: 76105-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76105-84-5
Multi CAS
No
Molecular Formula
C6H4N2S
Molecular Weight
136.180000
Exact Mass
136.009519
InChI
InChI=1S/C6H4N2S/c9-5-8-6-1-3-7-4-2-6/h1-4H
InChIKey
KCJLDYVWDOTJKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
38.92
TPSA
25.25

LogP / Solubility

WLOGP
1.82
MLOGP
1.59
XLogP3
2.3
Consensus LogP
1.9
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-2.26

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

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