S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine

C25H26FNS — CID 145312714

IUPACS-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine
SMILESCC1CCC(c2ccc(-c3ccc(-c4ccc(SN)cc4)cc3F)cc2)CC1
InChIInChI=1S/C25H26FNS/c1-17-2-4-18(5-3-17)19-6-8-21(9-7-19)24-15-12-22(16-25(24)26)20-10-13-23(28-27)14-11-20/h6-18H,2-5,27H2,1H3
InChIKeyIKLRQFFDXBBHPO-UHFFFAOYSA-N
MW391.56 g/mol
LogP7.42
Rot. Bonds4

About S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine

S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine (PubChem CID 145312714) has the molecular formula C25H26FNS and a molecular weight of 391.56 g/mol. Its IUPAC name is S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine
PubChem CID145312714
Molecular FormulaC25H26FNS
Molecular Weight391.56 g/mol
Exact Mass391.18
IUPAC NameS-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine
SMILESCC1CCC(c2ccc(-c3ccc(-c4ccc(SN)cc4)cc3F)cc2)CC1
InChIInChI=1S/C25H26FNS/c1-17-2-4-18(5-3-17)19-6-8-21(9-7-19)24-15-12-22(16-25(24)26)20-10-13-23(28-27)14-11-20/h6-18H,2-5,27H2,1H3
InChIKeyIKLRQFFDXBBHPO-UHFFFAOYSA-N
XLogP7.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
1-(4-ethynylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 89374985
1-(4-but-2-enylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 158452462
2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
CID 123561678
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 157199372
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
5-[difluoro-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 145464058
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188

Frequently Asked Questions

What is the IUPAC name of S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine?
The IUPAC name of S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine (CID 145312714) is S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine is CC1CCC(c2ccc(-c3ccc(-c4ccc(SN)cc4)cc3F)cc2)CC1.
What is the InChIKey of S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine?
The InChIKey is IKLRQFFDXBBHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNS/c1-17-2-4-18(5-3-17)19-6-8-21(9-7-19)24-15-12-22(16-25(24)26)20-10-13-23(28-27)14-11-20/h6-18H,2-5,27H2,1H3.
What are the key properties of S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine?
S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine has a molecular weight of 391.56 g/mol, XLogP of 7.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine is sourced from PubChem (CID 145312714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).