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Details

Stereochemistry RACEMIC
Molecular Formula C13H18BrNOS
Molecular Weight 316.257
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-BROMOTHIENYL-.ALPHA.-PVT

SMILES

CCCC(N1CCCC1)C(=O)C2=CC=C(Br)S2

InChI

InChIKey=BVORXTDEPYKXJA-UHFFFAOYSA-N
InChI=1S/C13H18BrNOS/c1-2-5-10(15-8-3-4-9-15)13(16)11-6-7-12(14)17-11/h6-7,10H,2-5,8-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H18BrNOS
Molecular Weight 316.257
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:36:59 GMT 2023
Edited
by admin
on Sat Dec 16 18:36:59 GMT 2023
Record UNII
W8WE3D3LWE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-BROMOTHIENYL-.ALPHA.-PVT
Common Name English
1-(5-BROMOTHIOPHEN-2-YL)-2-(PYRROLIDIN-1-YL)PENTAN-1-ONE
Systematic Name English
1-PENTANONE, 1-(5-BROMO-2-THIENYL)-2-(1-PYRROLIDINYL)-
Systematic Name English
Code System Code Type Description
CAS
2002397-57-9
Created by admin on Sat Dec 16 18:36:59 GMT 2023 , Edited by admin on Sat Dec 16 18:36:59 GMT 2023
PRIMARY
PUBCHEM
129844556
Created by admin on Sat Dec 16 18:36:59 GMT 2023 , Edited by admin on Sat Dec 16 18:36:59 GMT 2023
PRIMARY
FDA UNII
W8WE3D3LWE
Created by admin on Sat Dec 16 18:36:59 GMT 2023 , Edited by admin on Sat Dec 16 18:36:59 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY