Cas no 5855-98-1 (7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-)
5855-98-1 structure
Product Name:7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-
CAS No:5855-98-1
MF:C14H12N2O6S3
MW:400.449879646301
CID:368588
PubChem ID:79955
Update Time:2025-04-19
7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-
- 2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
- 2-(4-amino-3-sulphophenyl)-6-methylbenzothiazole-7-sulphonic acid
- 2-(4-Amino-3-sulfo-phenyl)-6-methyl-benzothiazol-7-sulfonsaeure
- 2-(4-amino-3-sulfo-phenyl)-6-methyl-benzothiazole-7-sulfonic acid
- 2-(4'-Aminophenyl)-6-methylbenzene-thiazole-3',7-disulfonic acid
- 7-benzothiazolesulfonic acid,2-(4-amino-3-sulfophenyl)-6-methyl
- EINECS 227-471-7
- FT-0736131
- DTXSID6064030
- AKOS015901283
- 2-(4-AMINO-3-SULFOPHENYL)-6-METHYLBENZO[D]THIAZOLE-7-SULFONIC ACID
- NAPHTHOLAS-SW
- 2-(4-AMINO-3-SULFOPHENYL)-6-METHYL-7-BENZOTHIAZOLESULFONIC ACID
- NS00033956
- UNII-8Z5S3B4TYD
- 8Z5S3B4TYD
- SCHEMBL1755225
- 5855-98-1
-
- Inchi： 1S/C14H12N2O6S3/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)8-3-4-9(15)11(6-8)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)
- InChI Key： ANZCWTMNWQPOQI-UHFFFAOYSA-N
- SMILES： S1C(C2=CC=C(C(=C2)S(=O)(=O)O)N)=NC2=CC=C(C)C(=C12)S(=O)(=O)O
Computed Properties
- Exact Mass: 399.98600
- Monoisotopic Mass: 399.98574963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 701
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 193?2
Experimental Properties
- PSA: 192.65000
- LogP: 5.09010
7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
5855-98-1 (7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-) Related Products
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