Benzothiazole-2-sulfonic acid

Synonyms: 2-Benzothiazolesulfonic acid, "2-benzo[d]thiazolesulfonic acid", "1,3-Benzothiazole-2-sulfonic acid", "benzo[d]thiazole-2-sulfonic acid", "benzthiazoline sulfonic acid"

Source: Benzothiazole-2-sulfonic acid is used in rubber and dye production

Identifiers:

IUPAC Name: 1,3-benzothiazole-2-sulfonic acid
CAS Number: 941-57-1
PubChem ID: 30647
InChiKey: ZCXGMSGCBDSEOY-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O

Structural Properties:

Molecular Formula: C₇H₅NO₃S₂
Molecular Weight: 215,300

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 13

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Evidence Supporting This Chemical as an Emerging Contaminant

Peng, Y., Fang, W., Krauss, M., Brack, W., Wang, Z., Li, F., & Zhang, X. (2018). Screening hundreds of emerging organic pollutants (EOPs) in surface water from the Yangtze River Delta (YRD): occurrence, distribution, ecological risk. Environmental pollution, 241, 484-493.

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