1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol

C16H34O3S5 — CID 91170500

IUPAC1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol
SMILESCC(O)CSCCSCC(CSCC(C)O)SCCSCC(C)O
InChIInChI=1S/C16H34O3S5/c1-13(17)8-20-4-5-22-11-16(12-23-10-15(3)19)24-7-6-21-9-14(2)18/h13-19H,4-12H2,1-3H3
InChIKeyFLWIMWJZPKGRQE-UHFFFAOYSA-N
MW434.78 g/mol
LogP3.16
Rot. Bonds17

About 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol

1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol (PubChem CID 91170500) has the molecular formula C16H34O3S5 and a molecular weight of 434.78 g/mol. Its IUPAC name is 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol
PubChem CID91170500
Molecular FormulaC16H34O3S5
Molecular Weight434.78 g/mol
Exact Mass434.11
IUPAC Name1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol
SMILESCC(O)CSCCSCC(CSCC(C)O)SCCSCC(C)O
InChIInChI=1S/C16H34O3S5/c1-13(17)8-20-4-5-22-11-16(12-23-10-15(3)19)24-7-6-21-9-14(2)18/h13-19H,4-12H2,1-3H3
InChIKeyFLWIMWJZPKGRQE-UHFFFAOYSA-N
XLogP3.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.78
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol with MolForge

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Related Compounds

1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol
CID 57258331
2-[2,3-bis(2-sulfanylethylsulfanyl)propylsulfanyl]ethane-1,1-diol
CID 141470064
3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 106933414
4-(2-hydroxypropylsulfanyl)butan-1-ol
CID 141337745
1-[2,3-bis[2-(2-sulfanylpropylsulfanyl)ethylsulfanyl]propylsulfanyl]propane-1-thiol
CID 90895816
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol
CID 106933407
(2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol
CID 106933404
1-(2-aminoethylsulfanyl)propan-2-ol;oxalic acid
CID 88837703
1-[2,3-bis(propylsulfanyl)propylsulfanyl]butane
CID 58986862
1-[2,3-bis(2-methylsulfanylethylsulfanyl)propylsulfanyl]aziridine
CID 166651199
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol
CID 20776575

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol?
The IUPAC name of 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol (CID 91170500) is 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol?
The canonical SMILES for 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol is CC(O)CSCCSCC(CSCC(C)O)SCCSCC(C)O.
What is the InChIKey of 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol?
The InChIKey is FLWIMWJZPKGRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3S5/c1-13(17)8-20-4-5-22-11-16(12-23-10-15(3)19)24-7-6-21-9-14(2)18/h13-19H,4-12H2,1-3H3.
What are the key properties of 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol?
1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol has a molecular weight of 434.78 g/mol, XLogP of 3.16, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol is sourced from PubChem (CID 91170500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).