Titan yellow indicator - 0.05% , CAS No.1829-00-1

CAS: 1829-00-1 Cat. No.: T299262 Molecular Weight: 695.72 Beilstein Registry Number: 3646510 EC Number: 217-377-4 PubChem CID: 73217

GRADE & PURITY 0.05%

Synonyms

Titan yellow|1829-00-1|Thiazol Yellow G|Clayton Yellow|Thiazole Yellow G|Direct Yellow 9|Thiazol Yellow|Diazol Yellow J|Mimosa Z|Titan Yellow G|Benzo Yellow TZ|Thiazol Yellow R|Thiazol Yellow Z|Titan Yellow Dye|C.I. Direct Yellow 9|Direct Yellow TZ|Direct

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

Titan yellow | 1829-00-1 | Thiazol Yellow G | Clayton Yellow | Thiazole Yellow G | Direct Yellow 9 | Thiazol Yellow | Diazol Yellow J | Mimosa Z | Titan Yellow G | Benzo Yellow TZ | Thiazol Yellow R | Thiazol Yellow Z | Titan Yellow Dye | C.I. Direct Yellow 9 | Direct Yellow TZ | Direct

Specifications & Purity

0.05%

Storage

Protected from light, Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=NC4=CC=C(C=C4)C5=NC6=C(S5)C(=C(C=C6)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;6-methyl-2-[4-[2-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]iminohydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonate
• InChIKey: CZIRZNRQHFVCDZ-UHFFFAOYSA-L
• INCHI: 1S/C28H21N5O6S4.2Na/c1-15-3-13-21-23(25(15)42(34,35)36)40-27(29-21)17-5-9-19(10-6-17)31-33-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)41-28)43(37,38)39;;/h3-14H,1-2H3,(H,31,32)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2
• Isomeric SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=NC4=CC=C(C=C4)C5=NC6=C(S5)C(=C(C=C6)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• WGK Germany: 3
• RTECS: DL6423000
• PubChem CID: 73217
• Molecular Weight: 695.72
• Beilstein: 3646510
• Reaxy-Rn: 6471139

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Arylsulfonic acids and derivatives Phenylhydrazines Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Arylsulfonic acid or derivatives - 1,3-benzothiazole - Phenylhydrazine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Thiazole - Sulfonyl - Azacycle - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 695.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 695.001 Da
• Monoisotopic Mass: 695.001 Da
• Topological Polar Surface Area: 250.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Dong Zou, Shiying Ni, Huandi Yao, Chang Hu, Ze-Xian Nicholas Low, Zhaoxiang Zhong.  (2022)  Co-sintering of ceramic ultrafiltration membrane with gradient pore structures for separation of dye/salt wastewater.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122030]

2. Xiaodong Yang, LiLi Wang, Jin Tong, Xueqin Shao, Rui Chen, Qiang Yang, Fangfei Li, Bing Xue, Guodong Li, Ye Han, Xizhen Yang, Andrew R. Zimmerman, Bin Gao.  (2022)  Synthesis of hickory biochar via one-step acidic ball milling: Characteristics and titan yellow adsorption.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2022.130575]

3. Zhang Bo, Zhang Tailiang, Zhang Zhidong, Xie Mingyuan.  (2019)  Hydrothermal synthesis of a graphene/magnetite/montmorillonite nanocomposite and its ultrasonically assisted methylene blue adsorption.  JOURNAL OF MATERIALS SCIENCE,  54  (16): (11037-11055).  [PMID:] [10.1007/s10853-019-03659-6]

4. Lin Yuqing, Cai Yuanyuan, Qiu Minghui, Drioli Enrico, Fan Yiqun.  (2015)  Environment-benign preparation of Ag toughening TiO2/Ti tight ultrafiltration membrane via aqueous sol–gel route.  JOURNAL OF MATERIALS SCIENCE,  50  (15): (5307-5317).  [PMID:] [10.1007/s10853-015-9078-x]

5. Xin Liu, Zilong Zhang, Jingdong Peng, Yuting He.  (2014)  High-performance liquid chromatography with resonance Rayleigh scattering detection for determining four tetracycline antibiotics.  Analytical Methods,  6  (23): (9361-9366).  [PMID:] [10.1039/C4AY01747A]

6. Longbo Xia, Kecheng Guan, Shanshan He, Ping Luo, Hideto Matsuyama, Zhaoxiang Zhong, Dong Zou.  (2024)  Engineering high-flux poly (vinylidene fluoride) membranes with symmetric structure for membrane distillation via delayed phase inversion.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126499]

7. Panpan Li, Jianguo Zhang, Yongfa Yu, Wenlin Jia, Shuang Zhao.  (2024)  A collaborative coagulation strategy for algae-laden and dye-containing water treatment.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2024.141146]

8. Shengchao Chen, Dudu Yang, Longbo Xia, Mei-Ling Liu, Kecheng Guan, Dong Zou, Hideto Matsuyama.  (2025)  Green dissolution-phase separation strategy for robust PVDF/PS membranes with improved membrane distillation performance.  DESALINATION,      [PMID:] [10.1016/j.desal.2025.119613]