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CAS 143673-61-4 POTASSIUM THIOCYANATE-13C-15N molecular structure lightbox
CAS RN: 143673-61-4

POTASSIUM THIOCYANATE-13C-15N

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS143673-61-4
  • Purity/Analytical Methods: >99.0%
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143673-61-4 / potassium (15N)azanylidyne(113C)methanethiolate

Standard CAS: 143673-61-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143673-61-4
Multi CAS
No
Molecular Formula
CKNS
Molecular Weight
99.170000
Exact Mass
98.939241
SMILES
[13C](#[15N])[S-].[K+]
InChI
InChI=1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1/i1+1,2+1;
InChIKey
ZNNZYHKDIALBAK-AWQJXPNKSA-M

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
2
Molar refractivity
12.98
TPSA
23.79

LogP / Solubility

WLOGP
-2.98
MLOGP
-2.64
XLogP3
-2.98
Consensus LogP
-2.87
Log S (ESOL)
1.44
Class (ESOL)
Highly soluble
Log S (Ali)
1.8
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.18
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.43

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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