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Details

Stereochemistry ACHIRAL
Molecular Formula C29H26OS3
Molecular Weight 486.711
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-1-PHENYL-4,4,4-TRIS(PHENYLTHIO)-1-BUTANONE

SMILES

CC(CC(=O)C1=CC=CC=C1)C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChIKey=YZOLQTKVCMCPKT-UHFFFAOYSA-N
InChI=1S/C29H26OS3/c1-23(22-28(30)24-14-6-2-7-15-24)29(31-25-16-8-3-9-17-25,32-26-18-10-4-11-19-26)33-27-20-12-5-13-21-27/h2-21,23H,22H2,1H3

HIDE SMILES / InChI

Molecular Formula C29H26OS3
Molecular Weight 486.711
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 18:34:08 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:08 GMT 2023
Record UNII
ZBY9B13PDY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-1-PHENYL-4,4,4-TRIS(PHENYLTHIO)-1-BUTANONE
Systematic Name English
1-BUTANONE, 3-METHYL-1-PHENYL-4,4,4-TRIS(PHENYLTHIO)-
Systematic Name English
NSC-310532
Code English
Code System Code Type Description
PUBCHEM
329229
Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023
PRIMARY
NSC
310532
Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023
PRIMARY
FDA UNII
ZBY9B13PDY
Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023
PRIMARY
CAS
69814-16-0
Created by admin on Sat Dec 16 18:34:08 GMT 2023 , Edited by admin on Sat Dec 16 18:34:08 GMT 2023
PRIMARY