2-(2-Thioxobenzo[d]thiazol-3(2h)-yl)acetic acid

Name: 2-(2-Thioxobenzo[d]thiazol-3(2h)-yl)acetic acid
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CAS No. 59794-34-2
Cat. No. CS-0270396
Purity≥97%
MDL No.None

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2-(2-Thioxobenzo[d]thiazol-3(2h)-yl)acetic acid|CS-0270396

Structure of 59794-34-2

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General Information

CAS No. 59794-34-2
Cat. No. CS-0270396
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇NO₂S₂
Molecular Weight 225.29
Synonym(s) (2-thioxo-1,3-benzothiazol-3(2H)-yl)acetic acid
SMILES C1=CC=C2C(=C1)N(CC(=O)O)C(=S)S2

Synthesis

Route1
- 77860-10-7
- ~87%
- 59794-34-2
References
- D'Amico, John J.; Bollinger, Frederic G.; Dahl, William E. Phosphorus and Sulfur and the Related Elements, 1988 , vol. 35, p. 71 - 76
Route2
- 41526-42-5
- ~%
- 59794-34-2
References
- D'Amico, John J.; Bollinger, Frederic G.; Dahl, William E. Phosphorus and Sulfur and the Related Elements, 1988 , vol. 35, p. 71 - 76
Route3
- 3161-57-7
- ~%
- 59794-34-2
References
- D'Amico, John J.; Suba, Lydia; Ruminski, Peter G. Journal of Heterocyclic Chemistry, 1985 , vol. 22, p. 1479 - 1482

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 42.23
LogP 2.51689
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

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2-(2-Thioxobenzo[d]thiazol-3(2h)-yl)acetic acid

CAS No. 59794-34-2

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