[2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite

C13H14IN3S — CID 142308290

IUPAC[2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite
SMILESN#Cc1ccc(C2CCC(=NNSI)CC2)cc1
InChIInChI=1S/C13H14IN3S/c14-18-17-16-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-4,12,17H,5-8H2/b16-13-
InChIKeyRRMZMVJWPFQSHE-SSZFMOIBSA-N
MW371.25 g/mol
LogP4.16
Rot. Bonds3

About [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite

[2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite (PubChem CID 142308290) has the molecular formula C13H14IN3S and a molecular weight of 371.25 g/mol. Its IUPAC name is [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite.

Molecular Properties

Compound Name[2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite
PubChem CID142308290
Molecular FormulaC13H14IN3S
Molecular Weight371.25 g/mol
Exact Mass371.00
IUPAC Name[2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite
SMILESN#Cc1ccc(C2CCC(=NNSI)CC2)cc1
InChIInChI=1S/C13H14IN3S/c14-18-17-16-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-4,12,17H,5-8H2/b16-13-
InChIKeyRRMZMVJWPFQSHE-SSZFMOIBSA-N
XLogP4.16
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

[2-[4-(4-hydroxyphenyl)cyclohexylidene]hydrazinyl] thiohypoiodite
CID 142308117
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzonitrile
CID 59875355
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
CID 67925507
4-[4-(2,2-dimethylpropyl)cyclohexyl]benzonitrile
CID 66584989
4-cyclohex-3-en-1-ylbenzonitrile
CID 10866986
4-[4-[4-[(1E)-buta-1,3-dienyl]cyclohexyl]cyclohexyl]benzonitrile
CID 22915750
4-(4-oxocyclohexyl)benzonitrile;4-(4-pentylphenyl)cyclohexan-1-one
CID 70502253
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]benzonitrile
CID 18179288
(E)-4-[4-(4-cyanophenyl)cyclohexyl]but-2-enoic acid
CID 67642976
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19798791

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite?
The IUPAC name of [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite (CID 142308290) is [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite.
What is the SMILES notation for [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite?
The canonical SMILES for [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite is N#Cc1ccc(C2CCC(=NNSI)CC2)cc1.
What is the InChIKey of [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite?
The InChIKey is RRMZMVJWPFQSHE-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H14IN3S/c14-18-17-16-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-4,12,17H,5-8H2/b16-13-.
What are the key properties of [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite?
[2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite has a molecular weight of 371.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-cyanophenyl)cyclohexylidene]hydrazinyl] thiohypoiodite is sourced from PubChem (CID 142308290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).