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Details

Stereochemistry ACHIRAL
Molecular Formula C30H12N2O4S2
Molecular Weight 528.557
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [2,2?-Bianthra[2,1-d]thiazole]-6,6?,11,11?-tetrone

SMILES

O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC4=C3SC(=N4)C5=NC6=C(S5)C7=C(C=C6)C(=O)C8=C(C=CC=C8)C7=O

InChI

InChIKey=VYPILCHHNHVAAE-UHFFFAOYSA-N
InChI=1S/C30H12N2O4S2/c33-23-13-5-1-3-7-15(13)25(35)21-17(23)9-11-19-27(21)37-29(31-19)30-32-20-12-10-18-22(28(20)38-30)26(36)16-8-4-2-6-14(16)24(18)34/h1-12H

HIDE SMILES / InChI

Molecular Formula C30H12N2O4S2
Molecular Weight 528.557
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 Mon Mar 31 22:44:03 GMT 2025
Edited
by admin
on Mon Mar 31 22:44:03 GMT 2025
Record UNII
AJH7ZQ9U8H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[2,2?-Bianthra[2,1-d]thiazole]-6,6?,11,11?-tetrone
Preferred Name English
Code System Code Type Description
CAS
6451-12-3
Created by admin on Mon Mar 31 22:44:03 GMT 2025 , Edited by admin on Mon Mar 31 22:44:03 GMT 2025
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FDA UNII
AJH7ZQ9U8H
Created by admin on Mon Mar 31 22:44:03 GMT 2025 , Edited by admin on Mon Mar 31 22:44:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID00214781
Created by admin on Mon Mar 31 22:44:03 GMT 2025 , Edited by admin on Mon Mar 31 22:44:03 GMT 2025
PRIMARY
PUBCHEM
80930
Created by admin on Mon Mar 31 22:44:03 GMT 2025 , Edited by admin on Mon Mar 31 22:44:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-252-1
Created by admin on Mon Mar 31 22:44:03 GMT 2025 , Edited by admin on Mon Mar 31 22:44:03 GMT 2025
PRIMARY