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Benzoisothiazol-3-one-[13C6]

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General Information
Catalog: BLP-007980
CAS: 1329616-16-1
Molecular Formula: C[13C]6H5NOS
Molecular Weight: 157.14

Chemical Structure

Description	Benzoisothiazol-3-one-[13C6] is the labelled analogue of Benzothiazolinone. Benzothiazolinone is widely used as a biological pesticide, which is an antimicrobial agent.
Synonyms	1,2-Benzisothiazol-3(2h)-one (ring-13C6); Benzoisothiazol-3-one-13C6; 3-Hydroxy-1,2-benzisothiazole-13C6; Acticide BIT-13C6; Apizas AP-DS-13C6; BIT-13C6; Benzisothiazolone-13C6; Benzo[d]isothiazol-3(2H)-one-13C6; Benzocil-13C6; Canguard BIT-13C6; Proxel BD-13C6
IUPAC Name	benzo[d]isothiazol-3(2H)-one-3a,4,5,6,7,7a-13C6
Related CAS	2634-33-5 (unlabelled)
Canonical SMILES	C1=CC=C2C(=C1)C(=O)NS2
InChI	InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)/i1+1,2+1,3+1,4+1,6+1
InChI Key	DMSMPAJRVJJAGA-ZFKNMOOESA-N
Melting Point	134-137°C
Purity	≥99%; ≥98% atom 13C
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white to Brown Solid
Storage	Store at -20°C