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Details

Stereochemistry ACHIRAL
Molecular Formula C17H11ClO2S
Molecular Weight 314.786
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Benzylthio-3-chloro-1,4-naphthoquinone

SMILES

ClC1=C(SCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3)C1=O

InChI

InChIKey=MZJPVYZIMKYPCN-UHFFFAOYSA-N
InChI=1S/C17H11ClO2S/c18-14-15(19)12-8-4-5-9-13(12)16(20)17(14)21-10-11-6-2-1-3-7-11/h1-9H,10H2

HIDE SMILES / InChI

Molecular Formula C17H11ClO2S
Molecular Weight 314.786
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 12:55:14 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:14 GMT 2023
Record UNII
3TX2TT9TWF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Benzylthio-3-chloro-1,4-naphthoquinone
Systematic Name English
2-Chloro-3-[(phenylmethyl)thio]-1,4-naphthalenedione
Systematic Name English
1,4-Naphthalenedione, 2-chloro-3-((phenylmethyl)thio)-
Systematic Name English
NSC-222721
Code English
1,4-Naphthoquinone, 2-benzylthio-3-chloro-
Systematic Name English
Code System Code Type Description
PUBCHEM
52589
Created by admin on Sat Dec 16 12:55:14 GMT 2023 , Edited by admin on Sat Dec 16 12:55:14 GMT 2023
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NSC
222721
Created by admin on Sat Dec 16 12:55:14 GMT 2023 , Edited by admin on Sat Dec 16 12:55:14 GMT 2023
PRIMARY
CAS
73816-81-6
Created by admin on Sat Dec 16 12:55:14 GMT 2023 , Edited by admin on Sat Dec 16 12:55:14 GMT 2023
PRIMARY
FDA UNII
3TX2TT9TWF
Created by admin on Sat Dec 16 12:55:14 GMT 2023 , Edited by admin on Sat Dec 16 12:55:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID90224253
Created by admin on Sat Dec 16 12:55:14 GMT 2023 , Edited by admin on Sat Dec 16 12:55:14 GMT 2023
PRIMARY