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CAS 2044-73-7 2-Pyridinemethanethiol molecular structure lightbox
CAS RN: 2044-73-7

2-Pyridinemethanethiol

  • Product code: SSC-096167
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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 2044-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2044-73-7 / pyridin-2-ylmethanethiol

Standard CAS: 2044-73-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2044-73-7
Multi CAS
No
Molecular Formula
C6H7NS
Molecular Weight
125.190000
Exact Mass
125.029920
SMILES
C1=CC=NC(=C1)CS
InChI
InChI=1S/C6H7NS/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
InChIKey
SJIIDWBFRZACDQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
57.00 to 58.00 °C. @ 0.60 mm Hg
Density
1.150-1.157
Physical Description
Colourless to yellow liquid; Pungent sulferous aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.93
TPSA
12.89

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
1
Consensus LogP
1.28
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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

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