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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N2OS.ClH
Molecular Weight 232.73
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of S-(2-AMINOETHYL)BENZOTHIOHYDROXIMIC ACID HYDROCHLORIDE

SMILES

Cl.NCCS\C(=N/O)C1=CC=CC=C1

InChI

InChIKey=CCFNCBFTTLAOEK-KSIDEHCFSA-N
InChI=1S/C9H12N2OS.ClH/c10-6-7-13-9(11-12)8-4-2-1-3-5-8;/h1-5,12H,6-7,10H2;1H/b11-9-;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H12N2OS
Molecular Weight 196.269
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 Sat Dec 16 10:26:36 GMT 2023
Edited
by admin
on Sat Dec 16 10:26:36 GMT 2023
Record UNII
65CKA60KPW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-(2-AMINOETHYL)BENZOTHIOHYDROXIMIC ACID HYDROCHLORIDE
Systematic Name English
S-(2-AMINOETHYL)-BENZOTHIOHYDROXYAMIC ACID HYDROCHLORIDE
Systematic Name English
BENZENECARBOXIMIDOTHIOIC ACID, N-HYDROXY-, 2-AMINOETHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
BENZOHYDROXIMIC ACID, THIO-, 2-AMINOETHYL ESTER, MONOHYDROCHLORIDE
Systematic Name English
BENZENECARBOXIMIDOTHIOIC ACID, N-HYDROXY-, 2-AMINOETHYL ESTER, MONOHYDROCHLORIDE
Systematic Name English
S-(2-AMINOETHYL)BENZOTHIOHYDROXIMATE HYDROCHLORIDE
Systematic Name English
S-(2-AMINOETHYL)-BENZOTHIOHYDROXIMATE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
119025781
Created by admin on Sat Dec 16 10:26:37 GMT 2023 , Edited by admin on Sat Dec 16 10:26:37 GMT 2023
PRIMARY
CAS
31822-77-2
Created by admin on Sat Dec 16 10:26:36 GMT 2023 , Edited by admin on Sat Dec 16 10:26:36 GMT 2023
PRIMARY
FDA UNII
65CKA60KPW
Created by admin on Sat Dec 16 10:26:36 GMT 2023 , Edited by admin on Sat Dec 16 10:26:36 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE