1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol

C6H14O2S2 — CID 18349958

IUPAC1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol
SMILESCC(O)COC(C)CSS
InChIInChI=1S/C6H14O2S2/c1-5(7)3-8-6(2)4-10-9/h5-7,9H,3-4H2,1-2H3
InChIKeyWWJOCGPLUVUPIT-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.35
Rot. Bonds5

About 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol

1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol (PubChem CID 18349958) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol
PubChem CID18349958
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol
SMILESCC(O)COC(C)CSS
InChIInChI=1S/C6H14O2S2/c1-5(7)3-8-6(2)4-10-9/h5-7,9H,3-4H2,1-2H3
InChIKeyWWJOCGPLUVUPIT-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 101356473
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
formic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 88614617
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763

Frequently Asked Questions

What is the IUPAC name of 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol (CID 18349958) is 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol is CC(O)COC(C)CSS.
What is the InChIKey of 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol?
The InChIKey is WWJOCGPLUVUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-5(7)3-8-6(2)4-10-9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol?
1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 18349958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).