Chemical identification
CAS identifier5462-29-3
Pubchem identifier3001990
DSSTox identifierDTXSID8063919
IUPAC name(2E)-5-chloro-2-(5-chloro-7-methyl-3-oxo-1-benzothiophen-2-ylidene)-7-methyl-1-benzothiophen-3-one
StructureBenzo[b]thiophen-3(2H)-one, 5-chloro-2-(5-chloro-7-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-7-methyl-

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESClc1cc(C)c2c(c1)C(=O)/C(=C/1Sc3c(C1=O)cc(cc3C)Cl)/S2
InChIInChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(21)17(23-15(7)11)18-14(22)12-6-10(20)4-8(2)16(12)24-18/h3-6H,1-2H3/b18-17+
InChIKeyHUGACAUYNJDGTB-ISLYRVAYSA-N

Chemical classification
KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassThioethers
DISCLAIMER

TICToK is a database of tattoo ink chemicals compiled from different regulatory resources. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on tattoo ink chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.