KT6

4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide

Created:	2022-06-07
Last modified:	2024-09-27

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1 entries where KT6 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of KT6

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Chemical Component Summary
Name	4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide
Synonyms	5,6-Dichloro-2-(2-hydroxyethyl)-1,2-benzisothiazol-3-one (reacted form of)
Systematic Name (OpenEye OEToolkits)	4,5-bis(chloranyl)-~{N}-(2-hydroxyethyl)-2-sulfanyl-benzamide
Formula	C₉ H₉ Cl₂ N O₂ S
Molecular Weight	266.144
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCCNC(=O)c1cc(Cl)c(Cl)cc1S
SMILES	OpenEye OEToolkits	2.0.7	c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO
Canonical SMILES	CACTVS	3.385	OCCNC(=O)c1cc(Cl)c(Cl)cc1S
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO
InChI	InChI	1.06	InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14)
InChIKey	InChI	1.06	QAWZKMJXXMSMKK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300949

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