3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol

C7H16O2S — CID 106933407

IUPAC3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSC[C@H](C)O
InChIInChI=1S/C7H16O2S/c1-6(3-8)4-10-5-7(2)9/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyAIBKISYUHCUFSR-MLWJPKLSSA-N
MW164.27 g/mol
LogP0.73
Rot. Bonds5

About 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol

3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 106933407) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol
PubChem CID106933407
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSC[C@H](C)O
InChIInChI=1S/C7H16O2S/c1-6(3-8)4-10-5-7(2)9/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyAIBKISYUHCUFSR-MLWJPKLSSA-N
XLogP0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 106933414
3-(ethylsulfanylmethylsulfanyl)-2-methylpropan-1-ol
CID 130686194
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol
CID 57258331
N'-hydroxy-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpropanimidamide
CID 77112675
3-(cyclopropylmethylsulfanyl)-2-methylpropan-1-ol
CID 66104453
3-[3-methoxy-2-(methylamino)propyl]sulfanyl-2-methylpropan-1-ol
CID 107511493
2-methyl-3-[2-(propan-2-ylamino)ethylsulfanyl]propan-1-ol
CID 66106072
3-dodecylsulfanyl-2-methylpropan-1-ol
CID 66103592
1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol
CID 114495243
propane-1,2-diol
CID 23506506
4-(2-hydroxypropylsulfanyl)butan-1-ol
CID 141337745

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol (CID 106933407) is 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol is CC(CO)CSC[C@H](C)O.
What is the InChIKey of 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is AIBKISYUHCUFSR-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H16O2S/c1-6(3-8)4-10-5-7(2)9/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol?
3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 164.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 106933407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).