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Hexythiazox

CAT: 0572-TRC-H298500-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H298500-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78587-05-0
Synonyms
3-Thiazolidinecarboxamide, 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-, (4R,5R)-rel-; 3-Thiazolidinecarboxamide, 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-, trans-; Calibre; Cesar; GWN 2106; Hexygon; Hexythiazox; Matacar; NA 73; Nissorun; Onager; Ordoval; Savey; Savey PM; Trevi; Zeldox
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
C[C@H]1[C@@H](SC(=O)N1C(=O)NC2CCCCC2)c3ccc(Cl)cc3
Molecular Formula
C17 H21 Cl N2 O2 S
Molecular Weight
352.88
InChI
InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1
Additionnal Information
IUPAC name: (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hexythiazox

(S,S)-hexythiazox is a hexythiazox.

CAS Number78587-05-0
PubChem CID13218777
IUPAC Name(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.9
XLogP4.5
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity448
SMILES
C[C@H]1[C@@H](SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1
InChIKey
XGWIJUOSCAQSSV-XHDPSFHLSA-N
Chemical Structure
2D Structure
2D structure of Hexythiazox
CAS: 78587-05-0
CID: 13218777
Formula: C17H21ClN2O2S
MW: 352.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.9
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass352.1012268
Monoisotopic Mass352.1012268
Topological Polar Surface Area74.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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