Nonyl (phenyl) sulfane

CAT: 0127-OR1052480-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1052480-01Size:250 mg

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CAS Number

56358-04-4

MDL Number

MFCD27997988

Purity

95%

Smiles

CCCCCCCCCSC1=CC=CC=C1

Chemical Information

Nonyl(phenyl)sulfane

CAS Number	56358-04-4
PubChem CID	11746643
IUPAC Name	nonylsulfanylbenzene
Molecular Formula	C15H24S
Molecular Weight	236.4
XLogP	6.4
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Heavy Atom Count	16
Formal Charge	0
Complexity	138

SMILES

CCCCCCCCCSC1=CC=CC=C1

InChI

InChI=1S/C15H24S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3

InChIKey

JXASPOITXHFJLW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56358-04-4

CID: 11746643

Formula: C15H24S

MW: 236.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.4
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	236.15987194
Monoisotopic Mass	236.15987194
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	138
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
OR1095611-01	Phenyl (propyl) sulfane
OR1052160-01	Butyl (phenyl) sulfane
OR96908-01	Allyl (phenyl) sulfane
OR1012371-01	Benzyl (Phenyl) Sulfane
PC1017221-01	Phenyl (3- (trifluoromethyl) phenyl) sulfane
PC1016552-01	Phenyl (4- (trifluoromethoxy) phenyl) sulfane
OR80245-01	(4- (Chloromethyl) phenyl) (phenyl) sulfane
OR1046200-01	Phenyl (3-phenylpropyl) sulfane
OR1098419	(4-bromophenyl) (phenyl) sulfane
OR1088786-01	(3- (tert-butyl) phenyl) (phenyl) sulfane

Catalog	Name
sc-250576	Nonyl phenyl ketone
RG-M050814-01	Methyl (Phenyl) Sulfane
14633-54-6	Cyclopropyl (phenyl) sulfane
429441-01	(4- (Chloromethyl) phenyl) (phenyl) sulfane
HY-W014888S	Benzy (phenyl) sulfane-d2
IBA93280-01	Methyl (4- (phenylthio) phenyl) sulfane
TRC-I105445-1G	(9-Iodononyl)(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)sulfane
RG-F122140-01	(4- ((6-Fluoro-2-Methyl-1H-Inden-3-Yl) Methyl) Phenyl) (Methyl) Sulfane
sc-396802A	Nonyl Acetate
AG037	Nonyl Phenol