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CAS 19829-29-9 Pyridine-4(1H)-thione molecular structure lightbox
CAS RN: 19829-29-9

Pyridine-4(1H)-thione

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS19829-29-9
  • Purity/Analytical Methods: >99.0%
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19829-29-9 / 1H-pyridine-4-thione

Standard CAS: 19829-29-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
19829-29-9
Multi CAS
No
Molecular Formula
C5H5NS
Molecular Weight
111.170000
Exact Mass
111.014270
SMILES
C1=CNC=CC1=S
InChI
InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChIKey
FHTDDANQIMVWKZ-UHFFFAOYSA-N

Physical Properties

Physical Description
Yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.63
TPSA
15.79

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
-0.7
Consensus LogP
0.85
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-2.16

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

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] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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