cyclohexylsulfanyl(phenylmethoxy)diazene

C13H18N2OS — CID 175112079

IUPACcyclohexylsulfanyl(phenylmethoxy)diazene
SMILESc1ccc(CON=NSC2CCCCC2)cc1
InChIInChI=1S/C13H18N2OS/c1-3-7-12(8-4-1)11-16-14-15-17-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyVVLFUPKQKGVONU-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.55
Rot. Bonds5

About cyclohexylsulfanyl(phenylmethoxy)diazene

cyclohexylsulfanyl(phenylmethoxy)diazene (PubChem CID 175112079) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is cyclohexylsulfanyl(phenylmethoxy)diazene.

Molecular Properties

Compound Namecyclohexylsulfanyl(phenylmethoxy)diazene
PubChem CID175112079
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Namecyclohexylsulfanyl(phenylmethoxy)diazene
SMILESc1ccc(CON=NSC2CCCCC2)cc1
InChIInChI=1S/C13H18N2OS/c1-3-7-12(8-4-1)11-16-14-15-17-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyVVLFUPKQKGVONU-UHFFFAOYSA-N
XLogP4.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl nitrite;cyclohexane
CID 175094734
(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol
CID 11231189
benzyl cyclopentylsulfanylformate
CID 156510763
(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
CID 15882424
N-phenylmethoxymethanimine
CID 561610
cyclohexyl(phenylmethoxy)methanol
CID 54334195
azane;cyclopentyloxymethylbenzene
CID 69411306
tribenzyl cyclohexyl silicate
CID 140793661
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402
1-cyclohexylsulfanyl-4-phenylbutan-2-one
CID 65139379

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfanyl(phenylmethoxy)diazene?
The IUPAC name of cyclohexylsulfanyl(phenylmethoxy)diazene (CID 175112079) is cyclohexylsulfanyl(phenylmethoxy)diazene.
What is the SMILES notation for cyclohexylsulfanyl(phenylmethoxy)diazene?
The canonical SMILES for cyclohexylsulfanyl(phenylmethoxy)diazene is c1ccc(CON=NSC2CCCCC2)cc1.
What is the InChIKey of cyclohexylsulfanyl(phenylmethoxy)diazene?
The InChIKey is VVLFUPKQKGVONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-7-12(8-4-1)11-16-14-15-17-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of cyclohexylsulfanyl(phenylmethoxy)diazene?
cyclohexylsulfanyl(phenylmethoxy)diazene has a molecular weight of 250.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfanyl(phenylmethoxy)diazene is sourced from PubChem (CID 175112079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).