3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE

Modify Date: 2025-08-21 14:24:56

3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE Structure
3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE structure
Common Name 3-(2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM-3-YL)-1-PROPANESULFONATE
CAS Number 160649-43-4 Molecular Weight 524.71800
Density N/A Boiling Point N/A
Molecular Formula C27H28N2O3S3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-[2-[[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

 Chemical & Physical Properties

Molecular Formula C27H28N2O3S3
Molecular Weight 524.71800
Exact Mass 524.12600
PSA 130.87000
LogP 6.49650
InChIKey SKQCTIOOMRITHI-UHFFFAOYSA-N
SMILES CCN1C(=CC2=CC(=Cc3sc4ccccc4[n+]3CCCS(=O)(=O)[O-])CCC2)Sc2ccccc21
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