ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol

C9H22O3S — CID 177191230

IUPACethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol
SMILESCC.CSCC(C)C(O)OCCO
InChIInChI=1S/C7H16O3S.C2H6/c1-6(5-11-2)7(9)10-4-3-8;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyKGFTTYUGHCLSOG-UHFFFAOYSA-N
MW210.34 g/mol
LogP1.34
Rot. Bonds6

About ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol

ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol (PubChem CID 177191230) has the molecular formula C9H22O3S and a molecular weight of 210.34 g/mol. Its IUPAC name is ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Nameethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol
PubChem CID177191230
Molecular FormulaC9H22O3S
Molecular Weight210.34 g/mol
Exact Mass210.13
IUPAC Nameethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol
SMILESCC.CSCC(C)C(O)OCCO
InChIInChI=1S/C7H16O3S.C2H6/c1-6(5-11-2)7(9)10-4-3-8;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyKGFTTYUGHCLSOG-UHFFFAOYSA-N
XLogP1.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol?
The IUPAC name of ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol (CID 177191230) is ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol?
The canonical SMILES for ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol is CC.CSCC(C)C(O)OCCO.
What is the InChIKey of ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol?
The InChIKey is KGFTTYUGHCLSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S.C2H6/c1-6(5-11-2)7(9)10-4-3-8;1-2/h6-9H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol?
ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol has a molecular weight of 210.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-hydroxyethoxy)-2-methyl-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 177191230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).