(2S)-2-benzylsulfanyl-3-phenylpropan-1-ol

C16H18OS — CID 11161240

IUPAC(2S)-2-benzylsulfanyl-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)SCc1ccccc1
InChIInChI=1S/C16H18OS/c17-12-16(11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-/m0/s1
InChIKeyRIWWVCUWUIXSAX-INIZCTEOSA-N
MW258.39 g/mol
LogP3.52
Rot. Bonds6

About (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol

(2S)-2-benzylsulfanyl-3-phenylpropan-1-ol (PubChem CID 11161240) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-3-phenylpropan-1-ol
PubChem CID11161240
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(2S)-2-benzylsulfanyl-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)SCc1ccccc1
InChIInChI=1S/C16H18OS/c17-12-16(11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-/m0/s1
InChIKeyRIWWVCUWUIXSAX-INIZCTEOSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol (CID 11161240) is (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol is OC[C@H](Cc1ccccc1)SCc1ccccc1.
What is the InChIKey of (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol?
The InChIKey is RIWWVCUWUIXSAX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18OS/c17-12-16(11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-/m0/s1.
What are the key properties of (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol?
(2S)-2-benzylsulfanyl-3-phenylpropan-1-ol has a molecular weight of 258.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-3-phenylpropan-1-ol is sourced from PubChem (CID 11161240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).