1-tritylsulfanylpropan-1-ol

C22H22OS — CID 141363719

IUPAC1-tritylsulfanylpropan-1-ol
SMILESCCC(O)SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OS/c1-2-21(23)24-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21,23H,2H2,1H3
InChIKeyCWSDFJRNTIVDOS-UHFFFAOYSA-N
MW334.48 g/mol
LogP5.44
Rot. Bonds6

About 1-tritylsulfanylpropan-1-ol

1-tritylsulfanylpropan-1-ol (PubChem CID 141363719) has the molecular formula C22H22OS and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-tritylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-tritylsulfanylpropan-1-ol
PubChem CID141363719
Molecular FormulaC22H22OS
Molecular Weight334.48 g/mol
Exact Mass334.14
IUPAC Name1-tritylsulfanylpropan-1-ol
SMILESCCC(O)SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OS/c1-2-21(23)24-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21,23H,2H2,1H3
InChIKeyCWSDFJRNTIVDOS-UHFFFAOYSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triethyl(trityl)phosphanium
CID 18355930
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
(2S)-3-hexadecoxy-2-tritylsulfanylpropan-1-ol
CID 10698369
2-ethylsulfanyl-2,2-diphenylacetate
CID 22173973
2-tritylpentane-1,3-diol
CID 139760773
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511
6,6-difluoro-6-phenylhexan-3-ol
CID 116790314
ethane;[methylsulfanyl(diphenyl)methyl]benzene
CID 143921889
3-methyl-2-phenylpentan-2-ol
CID 13024634
O-ethyl tritylsulfanylmethanethioate
CID 14898269
2-fluoro-3-hydroxy-2-phenylpentanoic acid
CID 19860351
2-hydroxy-6-tritylsulfanylhexanoic acid
CID 156778472

Frequently Asked Questions

What is the IUPAC name of 1-tritylsulfanylpropan-1-ol?
The IUPAC name of 1-tritylsulfanylpropan-1-ol (CID 141363719) is 1-tritylsulfanylpropan-1-ol.
What is the SMILES notation for 1-tritylsulfanylpropan-1-ol?
The canonical SMILES for 1-tritylsulfanylpropan-1-ol is CCC(O)SC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-tritylsulfanylpropan-1-ol?
The InChIKey is CWSDFJRNTIVDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OS/c1-2-21(23)24-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21,23H,2H2,1H3.
What are the key properties of 1-tritylsulfanylpropan-1-ol?
1-tritylsulfanylpropan-1-ol has a molecular weight of 334.48 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylsulfanylpropan-1-ol is sourced from PubChem (CID 141363719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).