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CAS 1514-39-2 5-fluoropyridine-3-carbothioamide(WXC01410) molecular structure lightbox
CAS RN: 1514-39-2

5-fluoropyridine-3-carbothioamide(WXC01410)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1514-39-2
  • Purity/Analytical Methods: >99.0%
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1514-39-2 / 5-fluoropyridine-3-carbothioamide

Standard CAS: 1514-39-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1514-39-2
Multi CAS
No
Molecular Formula
C6H5FN2S
Molecular Weight
156.180000
Exact Mass
156.015748
SMILES
C1=C(C=NC=C1F)C(=S)N
InChI
InChI=1S/C6H5FN2S/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
InChIKey
SQPAPSBWERDQTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.08
TPSA
38.91

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.07

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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