3,3-Diethylthiatricarbocyanine perchlorate

• CAS: 22268-66-2
• Catalog Number: ACM22268662
• Category: Organic & Printed Electronics
• Molecular Weight: 517.1g/mol
• Molecular Formula: C25H25ClN2O4S2
• Synonyms: benzothiazolium,3-ethyl-2-[7-(3-ethyl-2(3h)-benzothiazolylidene)-1,3,5-heptatr;3-ETHYL-2-((1E,3E,5E)-7-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-1,3,5-HEPTATRIENYL)-1,3-BENZOTHIAZOL-3-IUM PERCHLORATE;3,3-DIETHYLTHIATRICARBOCYANINE PERCHLORATE;BENZOTHIAZOLI
• IUPAC Name: (2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;perchlorate
• SMILES: CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[O-]Cl(=O)(=O)=O
• InChI: InChI=1S/C25H25N2S2.ClHO4/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2-1(3,4)5/h5-19H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
• InChI Key: PZQHZVAROUTGBU-UHFFFAOYSA-M
• Complexity: 697
• Covalently-Bonded Unit Count: 2
• Exact Mass: 516.094427g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 0
• Heavy Atom Count: 34
• Monoisotopic Mass: 516.094427g/mol
• Rotatable Bond Count: 6

Custom Q&A

What is the PubChem CID of 3,3-Diethylthiatricarbocyanine perchlorate?

PubChem CID 5702701.

What is the molecular formula of 3,3-Diethylthiatricarbocyanine perchlorate?

The molecular formula is C25H25ClN2O4S2.

What are the synonyms for 3,3-Diethylthiatricarbocyanine perchlorate?

The synonyms include 22268-66-2, 3-Ethyl-2-(7-(3-ethylbenzothiazol-2-ylidene)-1,3,5-heptatrienyl)benzothiazolium perchlorate, Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl)-, perchlorate (1:1), Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-, perchlorate, and 3,3'-Diethylthiatricarbocyanine perchlorate.

What is the molecular weight of 3,3-Diethylthiatricarbocyanine perchlorate?

The molecular weight is 517.1 g/mol.

What is the IUPAC name of 3,3-Diethylthiatricarbocyanine perchlorate?

The IUPAC name is (2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;perchlorate.

What is the InChI of 3,3-Diethylthiatricarbocyanine perchlorate?

The InChI is InChI=1S/C25H25N2S2.ClHO4/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2-1(3,4)5/h5-19H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1.

What is the CAS number of 3,3-Diethylthiatricarbocyanine perchlorate?

The CAS number is 22268-66-2.

What is the hydrogen bond acceptor count of 3,3-Diethylthiatricarbocyanine perchlorate?

The hydrogen bond acceptor count is 7.

What is the topological polar surface area of 3,3-Diethylthiatricarbocyanine perchlorate?

The topological polar surface area is 135Ų.

What is the heavy atom count of 3,3-Diethylthiatricarbocyanine perchlorate?

The heavy atom count is 34.