(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol

C7H14OS — CID 10866481

IUPAC(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
SMILESC=C(C)CS[C@H](C)CO
InChIInChI=1S/C7H14OS/c1-6(2)5-9-7(3)4-8/h7-8H,1,4-5H2,2-3H3/t7-/m1/s1
InChIKeyBGWPDHPDENJCFM-SSDOTTSWSA-N
MW146.25 g/mol
LogP1.68
Rot. Bonds4

About (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol

(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol (PubChem CID 10866481) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
PubChem CID10866481
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
SMILESC=C(C)CS[C@H](C)CO
InChIInChI=1S/C7H14OS/c1-6(2)5-9-7(3)4-8/h7-8H,1,4-5H2,2-3H3/t7-/m1/s1
InChIKeyBGWPDHPDENJCFM-SSDOTTSWSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The IUPAC name of (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol (CID 10866481) is (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol.
What is the SMILES notation for (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The canonical SMILES for (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol is C=C(C)CS[C@H](C)CO.
What is the InChIKey of (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The InChIKey is BGWPDHPDENJCFM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)5-9-7(3)4-8/h7-8H,1,4-5H2,2-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol?
(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol has a molecular weight of 146.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol is sourced from PubChem (CID 10866481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).