(2S)-1-tritylsulfanylpropan-2-ol

C22H22OS — CID 10914624

IUPAC(2S)-1-tritylsulfanylpropan-2-ol
SMILESC[C@H](O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OS/c1-18(23)17-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3/t18-/m0/s1
InChIKeySNOBQENERZMBEB-SFHVURJKSA-N
MW334.48 g/mol
LogP5.09
Rot. Bonds6

About (2S)-1-tritylsulfanylpropan-2-ol

(2S)-1-tritylsulfanylpropan-2-ol (PubChem CID 10914624) has the molecular formula C22H22OS and a molecular weight of 334.48 g/mol. Its IUPAC name is (2S)-1-tritylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-tritylsulfanylpropan-2-ol
PubChem CID10914624
Molecular FormulaC22H22OS
Molecular Weight334.48 g/mol
Exact Mass334.14
IUPAC Name(2S)-1-tritylsulfanylpropan-2-ol
SMILESC[C@H](O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OS/c1-18(23)17-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3/t18-/m0/s1
InChIKeySNOBQENERZMBEB-SFHVURJKSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-tritylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1-tritylsulfanylpropan-2-ol (CID 10914624) is (2S)-1-tritylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-tritylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-tritylsulfanylpropan-2-ol is C[C@H](O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-tritylsulfanylpropan-2-ol?
The InChIKey is SNOBQENERZMBEB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22OS/c1-18(23)17-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-tritylsulfanylpropan-2-ol?
(2S)-1-tritylsulfanylpropan-2-ol has a molecular weight of 334.48 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tritylsulfanylpropan-2-ol is sourced from PubChem (CID 10914624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).