Hypothiocyanite

Base Information

• Chemical Name: Hypothiocyanite
• CAS No.: 64253-39-0
• Molecular Formula: CH N O S
• Molecular Weight: 75.091
• DSSTox Substance ID: DTXSID20276285
• Nikkaji Number: J1.607.257E
• Wikidata: Q82006717
• Metabolomics Workbench ID: 42148
• Mol file: 64253-39-0.mol

Synonyms:hypothiocyanite;hypothiocyanite ion;OSCN-

Chemical Property of Hypothiocyanite

Chemical Property:

• PSA: 69.32000
• LogP: 0.67368
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 74.97788483
• Heavy Atom Count: 4
• Complexity: 43.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)SO

Technology Process of Hypothiocyanite

There total 1 articles about Hypothiocyanite which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

thiocyanogen (505-14-6) + water (7732-18-5) → Thiocyanate (302-04-5,1111-68-8,37223-05-5,62476-95-3,69924-38-5,81210-01-7,60168-45-8) + hypothiocyanous acid (64253-39-0)

Guidance literature:

In water; 291 K; not sepd., detected by double-mixing stopped-flow UV spectroscopy; Kinetics;

DOI:10.1021/ic061470i

Reference yield:

hypothiocyanous acid (64253-39-0) + water (7732-18-5) → hydrogen cyanide (74-90-8) + Thiocyanate (302-04-5,1111-68-8,37223-05-5,62476-95-3,69924-38-5,81210-01-7,60168-45-8) + cyanate (71000-82-3) + Sulfate (14808-79-8) + sulfite(2-) (14265-45-3)

Guidance literature:

In water; pH 4-7; Kinetics;

DOI:10.1021/ja2083152

Reference yield:

hypothiocyanous acid (64253-39-0) → cyanosulfurous acid (26020-12-2) + Thiocyanate (302-04-5,1111-68-8,37223-05-5,62476-95-3,69924-38-5,81210-01-7,60168-45-8) + hydrogen cation

Guidance literature:

In water; 25°C; Kinetics;

DOI:10.1021/ic000561r

upstream raw materials:

thiocyanogen

water

Downstream raw materials:

cyanosulfurous acid

Thiocyanate

hydrogen cyanide

cyanate