2-(thiocyanomethylthio)benzothiazole

Synonyms: "2-(thiocyanatomethylthio)benzothiazole", "Superdavloxan", "Benthiazole", "TCMTB", "2-((thiocyanatomethyl)thio)benzo[d]thiazole", "alentisan", "ichiban", "2-(thiocyanomethylthio)benzothiazole", "Sancelant TMB", "Delsan 30", "Busan", "Protector 3L", "(2-benzothiazolylthio)methyl thiocyanate", "Tolcide 2230", "Caswell No. 853A".

Source: 2-(thiocyanomethylthio)benzothiazole is a wood preservative agent.

Identifiers:

IUPAC Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate
CAS Number: 21564-17-0
PubChem ID: 30692
InChiKey: TUBQDCKAWGHZPF-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SCSC#N

Structural Properties:

Molecular Formula: C₉H₆N₂S₃
Molecular Weight: 238.341

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 5
Number of atoms different from hydrogen: 14

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Nakama A, Funasaka K, Shimizu M. 2007. Evaluation of estrogenic activity of organic biocides using ER-binding and YES assay. Food Chem Toxicol 45(9):1558-1564. DOI: 10.1016/j.fct.2007.02.014. URL: https://www.sciencedirect.com/science/article/pii/S0278691507000725?via%3Dihub.