U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula CS3.2Na.2H2O
Molecular Weight 190.216
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM TRITHIOCARBONATE DIHYDRATE

SMILES

O.O.[Na+].[Na+].[S-]C([S-])=S

InChI

InChIKey=NWQHBSDDBGCROM-UHFFFAOYSA-L
InChI=1S/CH2S3.2Na.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;2*+1;;/p-2

HIDE SMILES / InChI

Molecular Formula CH2S3
Molecular Weight 110.222
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
The 13C chemical shift tensor principal values and orientations in dialkyl carbonates and trithiocarbonates.
2002 Dec
Trithiocarbonates as a novel class of HDAC inhibitors: SAR studies, isoenzyme selectivity, and pharmacological profiles.
2008 Jul 10
Thermoresponsive nanohydrogels cross-linked by gold nanoparticles.
2010 Aug
Carbonic anhydrase inhibitors. X-ray crystal studies of the carbonic anhydrase II-trithiocarbonate adduct--an inhibitor mimicking the sulfonamide and urea binding to the enzyme.
2010 Jan 15
New formation mechanism of allylic trithiocarbonates from sodium O-(2-Alkenyl) dithiocarbonates via sequential pericyclic reactions: Density functional theory study.
2010 Nov
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:44:49 GMT 2023
Edited
by admin
on Sat Dec 16 04:44:49 GMT 2023
Record UNII
F240W8J47J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM TRITHIOCARBONATE DIHYDRATE
MI  
Systematic Name English
TRITHIOCARBONIC ACID DISODIUM SALT DIHYDRATE
Common Name English
CARBONIC ACID, TRITHIO-, DISODIUM SALT, DIHYDRATE
Common Name English
SODIUM TRITHIOCARBONATE DIHYDRATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m10095
Created by admin on Sat Dec 16 04:44:49 GMT 2023 , Edited by admin on Sat Dec 16 04:44:49 GMT 2023
PRIMARY Merck Index
PUBCHEM
71587030
Created by admin on Sat Dec 16 04:44:49 GMT 2023 , Edited by admin on Sat Dec 16 04:44:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID40172593
Created by admin on Sat Dec 16 04:44:49 GMT 2023 , Edited by admin on Sat Dec 16 04:44:49 GMT 2023
PRIMARY
CAS
19086-11-4
Created by admin on Sat Dec 16 04:44:49 GMT 2023 , Edited by admin on Sat Dec 16 04:44:49 GMT 2023
PRIMARY
FDA UNII
F240W8J47J
Created by admin on Sat Dec 16 04:44:49 GMT 2023 , Edited by admin on Sat Dec 16 04:44:49 GMT 2023
PRIMARY