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Details

Stereochemistry MIXED
Molecular Formula C14H16S.Fe
Molecular Weight 272.187
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-(THIODIETHYLIDENE)FERROCENE

SMILES

[Fe++].CC(SC(C)C1=CC=C[CH-]1)C2=CC=C[CH-]2

InChI

InChIKey=BAWCBYSSERFTKX-UHFFFAOYSA-N
InChI=1S/C14H16S.Fe/c1-11(13-7-3-4-8-13)15-12(2)14-9-5-6-10-14;/h3-12H,1-2H3;/q-2;+2

HIDE SMILES / InChI

Molecular Formula Fe
Molecular Weight 55.845
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H18S
Molecular Weight 218.358
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:02:38 UTC 2023
Edited
by admin
on Fri Dec 15 15:02:38 UTC 2023
Record UNII
FH86543XZI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1'-(THIODIETHYLIDENE)FERROCENE
Common Name English
MDL-80478
Code English
FERROCENE, 1,1'-(THIODIETHYLIDENE)-
Common Name English
NSC-317937
Code English
EX 10-478
Code English
Code System Code Type Description
EPA CompTox
DTXSID60954914
Created by admin on Fri Dec 15 15:02:38 UTC 2023 , Edited by admin on Fri Dec 15 15:02:38 UTC 2023
PRIMARY
PUBCHEM
3036948
Created by admin on Fri Dec 15 15:02:38 UTC 2023 , Edited by admin on Fri Dec 15 15:02:38 UTC 2023
PRIMARY
NSC
317937
Created by admin on Fri Dec 15 15:02:38 UTC 2023 , Edited by admin on Fri Dec 15 15:02:38 UTC 2023
PRIMARY
CAS
33269-57-7
Created by admin on Fri Dec 15 15:02:38 UTC 2023 , Edited by admin on Fri Dec 15 15:02:38 UTC 2023
PRIMARY
FDA UNII
FH86543XZI
Created by admin on Fri Dec 15 15:02:38 UTC 2023 , Edited by admin on Fri Dec 15 15:02:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE