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Details

Stereochemistry ACHIRAL
Molecular Formula C13H21O3PS2
Molecular Weight 320.408
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O,O-DIETHYL O-(3,5-DIMETHYL-4-(METHYLTHIO)PHENYL) PHOSPHOROTHIOATE

SMILES

CCOP(=S)(OCC)OC1=CC(C)=C(SC)C(C)=C1

InChI

InChIKey=RYYJMLJORHNGST-UHFFFAOYSA-N
InChI=1S/C13H21O3PS2/c1-6-14-17(18,15-7-2)16-12-8-10(3)13(19-5)11(4)9-12/h8-9H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C13H21O3PS2
Molecular Weight 320.408
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 Sat Dec 16 11:37:53 GMT 2023
Edited
by admin
on Sat Dec 16 11:37:53 GMT 2023
Record UNII
29J999HDWB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O,O-DIETHYL O-(3,5-DIMETHYL-4-(METHYLTHIO)PHENYL) PHOSPHOROTHIOATE
Systematic Name English
BAYER-37341
Code English
PHOSPHOROTHIOIC ACID, O-(3,5-DIMETHYL-4-(METHYLTHIO)PHENYL) O,O-DIETHYL ESTER
Systematic Name English
PHOSPHOROTHIOIC ACID, O,O-DIETHYL O-(4-(METHYLTHIO)-3,5-XYLYL) ESTER
Common Name English
BAY-9017
Code English
BAYER-9017
Code English
3,5-XYLENOL, 4-(METHYLTHIO)-, O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE
Common Name English
BAY-37341
Code English
Code System Code Type Description
PUBCHEM
66126
Created by admin on Sat Dec 16 11:37:53 GMT 2023 , Edited by admin on Sat Dec 16 11:37:53 GMT 2023
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FDA UNII
29J999HDWB
Created by admin on Sat Dec 16 11:37:53 GMT 2023 , Edited by admin on Sat Dec 16 11:37:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID3075335
Created by admin on Sat Dec 16 11:37:53 GMT 2023 , Edited by admin on Sat Dec 16 11:37:53 GMT 2023
PRIMARY
CAS
52-60-8
Created by admin on Sat Dec 16 11:37:53 GMT 2023 , Edited by admin on Sat Dec 16 11:37:53 GMT 2023
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