(3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate

C10H24O3S — CID 143964769

IUPAC(3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate
SMILESCC(C)(C)SCC[C@@H]1CCOC1.O.O
InChIInChI=1S/C10H20OS.2H2O/c1-10(2,3)12-7-5-9-4-6-11-8-9;;/h9H,4-8H2,1-3H3;2*1H2/t9-;;/m0../s1
InChIKeyGCTSUYQINMSVEG-WWPIYYJJSA-N
MW224.37 g/mol
LogP1.30
Rot. Bonds3

About (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate

(3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate (PubChem CID 143964769) has the molecular formula C10H24O3S and a molecular weight of 224.37 g/mol. Its IUPAC name is (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate.

Molecular Properties

Compound Name(3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate
PubChem CID143964769
Molecular FormulaC10H24O3S
Molecular Weight224.37 g/mol
Exact Mass224.14
IUPAC Name(3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate
SMILESCC(C)(C)SCC[C@@H]1CCOC1.O.O
InChIInChI=1S/C10H20OS.2H2O/c1-10(2,3)12-7-5-9-4-6-11-8-9;;/h9H,4-8H2,1-3H3;2*1H2/t9-;;/m0../s1
InChIKeyGCTSUYQINMSVEG-WWPIYYJJSA-N
XLogP1.30
TPSA72.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate?
The IUPAC name of (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate (CID 143964769) is (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate.
What is the SMILES notation for (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate?
The canonical SMILES for (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate is CC(C)(C)SCC[C@@H]1CCOC1.O.O.
What is the InChIKey of (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate?
The InChIKey is GCTSUYQINMSVEG-WWPIYYJJSA-N. The full InChI is InChI=1S/C10H20OS.2H2O/c1-10(2,3)12-7-5-9-4-6-11-8-9;;/h9H,4-8H2,1-3H3;2*1H2/t9-;;/m0../s1.
What are the key properties of (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate?
(3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate has a molecular weight of 224.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-tert-butylsulfanylethyl)oxolane;dihydrate is sourced from PubChem (CID 143964769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).