1,1,2-triphenylpropane-1-thiol

C21H20S — CID 174950474

IUPAC1,1,2-triphenylpropane-1-thiol
SMILESCC(c1ccccc1)C(S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20S/c1-17(18-11-5-2-6-12-18)21(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3
InChIKeyXCQXBFYTGONVRD-UHFFFAOYSA-N
MW304.46 g/mol
LogP5.66
Rot. Bonds4

About 1,1,2-triphenylpropane-1-thiol

1,1,2-triphenylpropane-1-thiol (PubChem CID 174950474) has the molecular formula C21H20S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1,1,2-triphenylpropane-1-thiol.

Molecular Properties

Compound Name1,1,2-triphenylpropane-1-thiol
PubChem CID174950474
Molecular FormulaC21H20S
Molecular Weight304.46 g/mol
Exact Mass304.13
IUPAC Name1,1,2-triphenylpropane-1-thiol
SMILESCC(c1ccccc1)C(S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20S/c1-17(18-11-5-2-6-12-18)21(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3
InChIKeyXCQXBFYTGONVRD-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,1,2-triphenylpropane-1-thiol 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

methyl(1,1,2-triphenylpropyl)phosphane
CID 69389648
2,2,3-triphenylbutane-1,1,1-triol
CID 19424795
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
1,1,2-triphenyl-N-silylpropan-1-amine
CID 173425344
[(2S)-1-nitroso-1,1-diphenylpropan-2-yl]benzene
CID 118652854
2-amino-3-phenylbutan-2-ol
CID 68615274
2-[1-(2-hydroxyethoxy)-1,2-diphenylpropoxy]ethanol
CID 70602135
cumene;methanethiol
CID 170640582
3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)
CID 20642617
[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
CID 67208370
cumene
CID 161227923
1-phenylethylbenzene
CID 11918

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenylpropane-1-thiol?
The IUPAC name of 1,1,2-triphenylpropane-1-thiol (CID 174950474) is 1,1,2-triphenylpropane-1-thiol.
What is the SMILES notation for 1,1,2-triphenylpropane-1-thiol?
The canonical SMILES for 1,1,2-triphenylpropane-1-thiol is CC(c1ccccc1)C(S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2-triphenylpropane-1-thiol?
The InChIKey is XCQXBFYTGONVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S/c1-17(18-11-5-2-6-12-18)21(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3.
What are the key properties of 1,1,2-triphenylpropane-1-thiol?
1,1,2-triphenylpropane-1-thiol has a molecular weight of 304.46 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenylpropane-1-thiol is sourced from PubChem (CID 174950474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).