1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol

C9H20O2S2 — CID 57258331

IUPAC1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol
SMILESCC(O)CSCC(C)SCC(C)O
InChIInChI=1S/C9H20O2S2/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-11H,4-6H2,1-3H3
InChIKeyXGLULCPEHKLMME-UHFFFAOYSA-N
MW224.39 g/mol
LogP1.60
Rot. Bonds7

About 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol

1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol (PubChem CID 57258331) has the molecular formula C9H20O2S2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol
PubChem CID57258331
Molecular FormulaC9H20O2S2
Molecular Weight224.39 g/mol
Exact Mass224.09
IUPAC Name1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol
SMILESCC(O)CSCC(C)SCC(C)O
InChIInChI=1S/C9H20O2S2/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-11H,4-6H2,1-3H3
InChIKeyXGLULCPEHKLMME-UHFFFAOYSA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol?
The IUPAC name of 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol (CID 57258331) is 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol is CC(O)CSCC(C)SCC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol?
The InChIKey is XGLULCPEHKLMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S2/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol?
1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol has a molecular weight of 224.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol is sourced from PubChem (CID 57258331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).