Cas no 6691-11-8 (Benzothiazolium,5-chloro-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-[(4-sulfobutyl)thio]-1-propen-1-yl]-3-methyl-,inner salt)
![Benzothiazolium,5-chloro-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-[(4-sulfobutyl)thio]-1-propen-1-yl]-3-methyl-,inner salt structure](https://ossimg.kuujia.com/scimg/7000/6691-11-8x500.png)
6691-11-8 structure
Product Name:Benzothiazolium,5-chloro-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-[(4-sulfobutyl)thio]-1-propen-1-yl]-3-methyl-,inner salt
CAS No:6691-11-8
MF:C9H17NO4
MW:203.23558306694
CID:527460
PubChem ID:5209667
Update Time:2025-04-19
Benzothiazolium,5-chloro-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-[(4-sulfobutyl)thio]-1-propen-1-yl]-3-methyl-,inner salt Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazolium,5-chloro-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-[(4-sulfobutyl)thio]-1-propen-1-yl]-3-methyl-,inner salt
- AGN-PC-0OJFQP
- SCHEMBL852346
- H-Asp(OtBu)-OMe
- 4-tert-butyl 1-methyl 2-aminobutanedioate
- DTXSID00410125
- EN300-4388259
- 6691-11-8
-
- Inchi： 1S/C9H17NO4/c1-9(2,3)14-7(11)5-6(10)8(12)13-4/h6H,5,10H2,1-4H3
- InChI Key： CWARULQNYJKOMP-UHFFFAOYSA-N
- SMILES： O(C(CC(C(=O)OC)N)=O)C(C)(C)C
Computed Properties
- Exact Mass: 203.11581
- Monoisotopic Mass: 203.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 78.62
Benzothiazolium,5-chloro-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-[(4-sulfobutyl)thio]-1-propen-1-yl]-3-methyl-,inner salt Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
6691-11-8 (Benzothiazolium,5-chloro-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-[(4-sulfobutyl)thio]-1-propen-1-yl]-3-methyl-,inner salt) Related Products
- 3057-74-7(L-Aspartic acid 4-tert-butyl ester)
- 4125-93-3(L-Aspartic Acid 1-tert-Butyl Ester)
- 25456-76-2(H-D-Glu-OtBu)
- 21860-85-5(Aspartic acid, 1-ethylester)
- 64960-75-4(H-D-Asp(OtBu)-OH)
- 13211-31-9(tert-butyl (2S)-2-amino-3-methylbutanoate)
- 45120-30-7(H-Glu-OtBu)
- 15911-75-8(tert-butyl (2S)-2-aminopentanoate)
- 13552-87-9(L-Aspartic acid,1,4-diethyl ester)
- 510754-90-2(Carbamic acid,N-(9-aminononyl)-, 1,1-dimethylethyl ester)
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