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Details

Stereochemistry ACHIRAL
Molecular Formula C21H28N2S2
Molecular Weight 372.59
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BUTHIOBATE

SMILES

CCCCSC(SCC1=CC=C(C=C1)C(C)(C)C)=NC2=CN=CC=C2

InChI

InChIKey=ZZVVDIVWGXTDRQ-ATJXCDBQSA-N
InChI=1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3/b23-20-

HIDE SMILES / InChI

Molecular Formula C21H28N2S2
Molecular Weight 372.59
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:42:24 GMT 2025
Edited
by admin
on Mon Mar 31 18:42:24 GMT 2025
Record UNII
1279ZLY2IL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DENMERT
Preferred Name English
BUTHIOBATE
ISO   MI  
Common Name English
BUTHIOBATE [ISO]
Common Name English
S-1358
Code English
BUTHIOBATE [MI]
Common Name English
3-PYRIDINYLCARBONIMIDODITHIOIC ACID BUTYL (4-(1,1-DIMETHYLETHYL)PHENYL)METHYL ESTER
Common Name English
BUTYL 4-TERT-BUTYLBENZYL N-(3-PYRIDYL)DITHIOCARBONIMIDATE
Systematic Name English
Code System Code Type Description
ALANWOOD
buthiobate
Created by admin on Mon Mar 31 18:42:24 GMT 2025 , Edited by admin on Mon Mar 31 18:42:24 GMT 2025
PRIMARY
CAS
51308-54-4
Created by admin on Mon Mar 31 18:42:24 GMT 2025 , Edited by admin on Mon Mar 31 18:42:24 GMT 2025
PRIMARY
FDA UNII
1279ZLY2IL
Created by admin on Mon Mar 31 18:42:24 GMT 2025 , Edited by admin on Mon Mar 31 18:42:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID70866190
Created by admin on Mon Mar 31 18:42:24 GMT 2025 , Edited by admin on Mon Mar 31 18:42:24 GMT 2025
PRIMARY
PUBCHEM
39978
Created by admin on Mon Mar 31 18:42:24 GMT 2025 , Edited by admin on Mon Mar 31 18:42:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
257-128-7
Created by admin on Mon Mar 31 18:42:24 GMT 2025 , Edited by admin on Mon Mar 31 18:42:24 GMT 2025
PRIMARY
MERCK INDEX
m603
Created by admin on Mon Mar 31 18:42:24 GMT 2025 , Edited by admin on Mon Mar 31 18:42:24 GMT 2025
PRIMARY Merck Index