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Details

Stereochemistry ACHIRAL
Molecular Formula C8H11NO2S
Molecular Weight 185.243
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-22-0654

SMILES

CCC1=C(N)C(=CS1)C(=O)OC

InChI

InChIKey=DFTUDTYQWOYUKT-UHFFFAOYSA-N
InChI=1S/C8H11NO2S/c1-3-6-7(9)5(4-12-6)8(10)11-2/h4H,3,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H11NO2S
Molecular Weight 185.243
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 Mon Mar 31 18:44:42 GMT 2025
Edited
by admin
on Mon Mar 31 18:44:42 GMT 2025
Record UNII
2MM80KQN4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMINO-5-ETHYL-3-THIOPHENE-CARBOXYLIC ACID METHYL ESTER, 4-
Preferred Name English
RO-22-0654
Code English
3-THIOPHENECARBOXYLIC ACID, 4-AMINO-5-ETHYL-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
133753
Created by admin on Mon Mar 31 18:44:42 GMT 2025 , Edited by admin on Mon Mar 31 18:44:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID50231307
Created by admin on Mon Mar 31 18:44:42 GMT 2025 , Edited by admin on Mon Mar 31 18:44:42 GMT 2025
PRIMARY
FDA UNII
2MM80KQN4J
Created by admin on Mon Mar 31 18:44:42 GMT 2025 , Edited by admin on Mon Mar 31 18:44:42 GMT 2025
PRIMARY
CAS
81741-99-3
Created by admin on Mon Mar 31 18:44:42 GMT 2025 , Edited by admin on Mon Mar 31 18:44:42 GMT 2025
PRIMARY
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