Cyclohexanone p-Toluenesulfonylhydrazone

CAT: 0024-sc-487000Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-487000Size:5 g

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CAS Number

4545-18-0

Chemical Information

Cyclohexanone p-Toluenesulfonylhydrazone

CAS Number	4545-18-0
PubChem CID	244768
IUPAC Name	N-(cyclohexylideneamino)-4-methylbenzenesulfonamide
Molecular Formula	C13H18N2O2S
Molecular Weight	266.36
XLogP	2.4
Topological Polar Surface Area	66.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	382

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC2

InChI

InChI=1S/C13H18N2O2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h7-10,15H,2-6H2,1H3

InChIKey

WMCVYCATQIGYIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4545-18-0

CID: 244768

Formula: C13H18N2O2S

MW: 266.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.36
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	266.10889899
Monoisotopic Mass	266.10889899
Topological Polar Surface Area	66.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-487005	Cyclopentanone p-Toluenesulfonylhydrazone
sc-473924	3-Pentanone p-Toluenesulfonylhydrazone
sc-214786	Cyclohexanone
sc-214786A	Cyclohexanone
sc-353160	Cyclohexanone oxime
sc-257270	Cyclohexanone-d10
sc-353160A	Cyclohexanone oxime
sc-234450	Cyclohexanone cyanohydrin
sc-254098	2- (Methylthio) cyclohexanone
sc-276874	4- (Hydroxymethyl) cyclohexanone

Catalog	Name
OR1092671-01	2- (p-tolyl) cyclohexanone
QCA61906	4- (Dimethylamino) -4- (p-tolyl) cyclohexanone
OR1026703-01	3-Pentanone P-Toluenesulfonylhydrazone
OR1029619-01	1,3-Diphenylacetone P-Toluenesulfonylhydrazone
10113-75	Cyclohexanone
CS-BX-00305	Cyclohexanone-d10
LC-6995.2	Cyclohexanone pure
3121875	Cyclohexanone A.R.
TRC-C987982-1G	Cyclohexanone-d6
500865-01	Cyclohexanone AR