1-(3-chlorophenyl)-3-[(Z)-[(1E,3R,4S,5R)-1-[(3-chlorophenyl)carbamothioylhydrazinylidene]-3,4,5,6-tetrahydroxyhexan-2-ylidene]amino]thiourea
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![1-(3-chlorophenyl)-3-[(Z)-[(1E,3R,4S,5R)-1-[(3-chlorophenyl)carbamothioylhydrazinylidene]-3,4,5,6-tetrahydroxyhexan-2-ylidene]amino]thiourea structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6e0d3717fc464dfd8c0b402e87fe7c33.png "1-(3-chlorophenyl)-3-[(Z)-[(1E,3R,4S,5R)-1-[(3-chlorophenyl)carbamothioylhydrazinylidene]-3,4,5,6-tetrahydroxyhexan-2-ylidene]amino]thiourea")
1-(3-chlorophenyl)-3-[(Z)-[(1E,3R,4S,5R)-1-[(3-chlorophenyl)carbamothioylhydrazinylidene]-3,4,5,6-tetrahydroxyhexan-2-ylidene]amino]thiourea
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CAS No:
122276-80-6
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Formula:
C20H22Cl2N6O4S2
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Chemical Name:
1-(3-chlorophenyl)-3-[(Z)-[(1E,3R,4S,5R)-1-[(3-chlorophenyl)carbamothioylhydrazinylidene]-3,4,5,6-tetrahydroxyhexan-2-ylidene]amino]thiourea
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Synonyms:
Glucosone bis-4-(3-chlorophenyl)thiosemicarbazone; D-arabino-Hexos-2-ulose,bis((((3-chlorophenyl)amino)thioxomethyl)hydrazone);
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CAS No:
1-(3-chlorophenyl)-3-[(Z)-[(1E,3R,4S,5R)-1-[(3-chlorophenyl)carbamothioylhydrazinylidene]-3,4,5,6-tetrahydroxyhexan-2-ylidene]amino]thiourea Basic Attributes
545.46200
544.0521009
Computed Properties
Molecular Weight:545.5
XLogP3:1.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:544.0521009
Monoisotopic Mass:544.0521009
Topological Polar Surface Area:218
Heavy Atom Count:34
Complexity:735
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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