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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H26N2O3SSi.BrH
Molecular Weight 387.409
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-Dihydro-2-((3-(triethoxysilyl)propyl)thio)-1H-imidazole monohydrobromide

SMILES

Br.CCO[Si](CCCSC1=NCCN1)(OCC)OCC

InChI

InChIKey=RHFFWHVKPFBMBR-UHFFFAOYSA-N
InChI=1S/C12H26N2O3SSi.BrH/c1-4-15-19(16-5-2,17-6-3)11-7-10-18-12-13-8-9-14-12;/h4-11H2,1-3H3,(H,13,14);1H

HIDE SMILES / InChI

Molecular Formula C12H26N2O3SSi
Molecular Weight 306.497
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:12:01 GMT 2023
Edited
by admin
on Sat Dec 16 13:12:01 GMT 2023
Record UNII
ZB6JT2G2NZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-Dihydro-2-((3-(triethoxysilyl)propyl)thio)-1H-imidazole monohydrobromide
Systematic Name English
1H-Imidazole, 4,5-dihydro-2-[[3-(triethoxysilyl)propyl]thio]-, hydrobromide (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
295-356-9
Created by admin on Sat Dec 16 13:12:01 GMT 2023 , Edited by admin on Sat Dec 16 13:12:01 GMT 2023
PRIMARY
PUBCHEM
3045290
Created by admin on Sat Dec 16 13:12:01 GMT 2023 , Edited by admin on Sat Dec 16 13:12:01 GMT 2023
PRIMARY
CAS
91998-52-6
Created by admin on Sat Dec 16 13:12:01 GMT 2023 , Edited by admin on Sat Dec 16 13:12:01 GMT 2023
PRIMARY
FDA UNII
ZB6JT2G2NZ
Created by admin on Sat Dec 16 13:12:01 GMT 2023 , Edited by admin on Sat Dec 16 13:12:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID50238811
Created by admin on Sat Dec 16 13:12:01 GMT 2023 , Edited by admin on Sat Dec 16 13:12:01 GMT 2023
PRIMARY