(2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol

C15H16OS — CID 71507102

IUPAC(2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol
SMILES[2H][C@H](SCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H16OS/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/i12D/t12-,15?/m0/s1
InChIKeyPZFGUDPQZCBTGY-SCNPZUAPSA-N
MW245.37 g/mol
LogP3.65
Rot. Bonds5

About (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol

(2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol (PubChem CID 71507102) has the molecular formula C15H16OS and a molecular weight of 245.37 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol
PubChem CID71507102
Molecular FormulaC15H16OS
Molecular Weight245.37 g/mol
Exact Mass245.10
IUPAC Name(2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol
SMILES[2H][C@H](SCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H16OS/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/i12D/t12-,15?/m0/s1
InChIKeyPZFGUDPQZCBTGY-SCNPZUAPSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1,2-diphenylethanol
CID 1379022
1-(4-aminophenyl)-2-benzylsulfanylethanol
CID 62265593
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenylethanol
CID 78977116
(2S)-2-bromo-2-deuterio-1-phenylethanol
CID 71507175
(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide
CID 94209938
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol?
The IUPAC name of (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol (CID 71507102) is (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol.
What is the SMILES notation for (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol?
The canonical SMILES for (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol is [2H][C@H](SCc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol?
The InChIKey is PZFGUDPQZCBTGY-SCNPZUAPSA-N. The full InChI is InChI=1S/C15H16OS/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/i12D/t12-,15?/m0/s1.
What are the key properties of (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol?
(2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol has a molecular weight of 245.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-2-deuterio-1-phenylethanol is sourced from PubChem (CID 71507102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).