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Details

Stereochemistry RACEMIC
Molecular Formula C8H14O2S3
Molecular Weight 238.391
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3-TRITHIANE-4-PENTANOIC ACID

SMILES

OC(=O)CCCCC1CCSSS1

InChI

InChIKey=NBMATVIMURBZTQ-UHFFFAOYSA-N
InChI=1S/C8H14O2S3/c9-8(10)4-2-1-3-7-5-6-11-13-12-7/h7H,1-6H2,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H14O2S3
Molecular Weight 238.391
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 07:14:10 GMT 2023
Edited
by admin
on Sat Dec 16 07:14:10 GMT 2023
Record UNII
UQ303H498S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3-TRITHIANE-4-PENTANOIC ACID
Systematic Name English
6,8-EPITRITHIOOCTANOIC ACID
Common Name English
6,8-EPITRITHIOOCTANOIC ACID, (±)-
Common Name English
THIOCTIC ACID IMPURITY A [EP IMPURITY]
Common Name English
1,2,3-TRITHIANE-4-VALERIC ACID
Systematic Name English
(±)-6,8-EPITRITHIOOCTANOIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
18417507
Created by admin on Sat Dec 16 07:14:10 GMT 2023 , Edited by admin on Sat Dec 16 07:14:10 GMT 2023
PRIMARY
CAS
1204245-29-3
Created by admin on Sat Dec 16 07:14:10 GMT 2023 , Edited by admin on Sat Dec 16 07:14:10 GMT 2023
PRIMARY
FDA UNII
UQ303H498S
Created by admin on Sat Dec 16 07:14:10 GMT 2023 , Edited by admin on Sat Dec 16 07:14:10 GMT 2023
PRIMARY
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