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Basic Information
CAS No.: 212333-72-7
Name: N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium hexafluorophosphate
Molecular Structure:
Molecular Structure of 212333-72-7 (N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium hexafluorophosphate)
Formula: C10H16F6N3OPS
Molecular Weight: 371.28
Synonyms: HOTT;
EINECS: 805-907-2
Melting Point: 120-125 °C
Risk Codes: 36/37/38
Safety: 26-36
PSA: 77.62000
LogP: 4.14960
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  • Changzhou Extraordinary Pharmatech co.,LTD

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Specification

The N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium hexafluorophosphate, with cas registry number 212333-72-7, belongs to the following product categories: Coupling Reagent. It has the systematic name of N-{(dimethylamino)[(1-oxidopyridin-2-yl)sulfanyl]methylidene}-N-methylmethanaminium fluoride - pentafluoro-lambda~5~-phosphane (1:1). This chemical should store at the temperature of −20°C.

Physical properties about this chemical are:  (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 57.01 Å2; (5)Melting Point: 120-125 °C.

You can still convert the following datas into molecular structure: 
(1)SMILES: [F-].FP(F)(F)(F)F.[O-][n+]1ccccc1S/C(N(C)C)=[N+](/C)C
(2)InChI: InChI=1/C10H16N3OS.F5P.FH/c1-11(2)10(12(3)4)15-9-7-5-6-8-13(9)14;1-6(2,3,4)5;/h5-8H,1-4H3;;1H/q+1;;/p-1
(3)InChIKey: ZXULMEUDXOWGGI-REWHXWOFAQ
(4)Std. InChI: InChI=1S/C10H16N3OS.F5P.FH/c1-11(2)10(12(3)4)15-9-7-5-6-8-13(9)14;1-6(2,3,4)5;/h5-8H,1-4H3;;1H/q+1;;/p-1(5)Std. InChIKey: ZXULMEUDXOWGGI-UHFFFAOYSA-M