(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol

C12H18O2S — CID 97087748

IUPAC(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol
SMILESC[C@H](CSC[C@H](O)CO)c1ccccc1
InChIInChI=1S/C12H18O2S/c1-10(8-15-9-12(14)7-13)11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyPMEDYICGZDNDFK-ZYHUDNBSSA-N
MW226.34 g/mol
LogP1.88
Rot. Bonds6

About (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol

(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol (PubChem CID 97087748) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol
PubChem CID97087748
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol
SMILESC[C@H](CSC[C@H](O)CO)c1ccccc1
InChIInChI=1S/C12H18O2S/c1-10(8-15-9-12(14)7-13)11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyPMEDYICGZDNDFK-ZYHUDNBSSA-N
XLogP1.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylethylsulfanyl)propane-1,2-diol
CID 79682648
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
3-(2,3-dihydroxypropylsulfanyl)-N'-hydroxy-2-phenylpropanimidamide
CID 79682395
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 106933414
3-(2-methyl-2-phenylpropyl)sulfanylpropane-1,2-diol
CID 159407193
3-phenylbutane-1,1-diol
CID 18417931
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 2102063
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 81135235
(2R,4R)-4-phenylbutane-1,2,4-triol
CID 14940547

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol?
The IUPAC name of (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol (CID 97087748) is (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol?
The canonical SMILES for (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol is C[C@H](CSC[C@H](O)CO)c1ccccc1.
What is the InChIKey of (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol?
The InChIKey is PMEDYICGZDNDFK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H18O2S/c1-10(8-15-9-12(14)7-13)11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol?
(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol has a molecular weight of 226.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 97087748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).