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

C8H18O2S2 — CID 554366

IUPAC1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol
SMILESCC(O)CSCCSCC(C)O
InChIInChI=1S/C8H18O2S2/c1-7(9)5-11-3-4-12-6-8(2)10/h7-10H,3-6H2,1-2H3
InChIKeyTVJMNKFRSJHLBL-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.21
Rot. Bonds7

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

1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol (PubChem CID 554366) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol
PubChem CID554366
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol
SMILESCC(O)CSCCSCC(C)O
InChIInChI=1S/C8H18O2S2/c1-7(9)5-11-3-4-12-6-8(2)10/h7-10H,3-6H2,1-2H3
InChIKeyTVJMNKFRSJHLBL-UHFFFAOYSA-N
XLogP1.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
CID 62090
1,5,9,13-Tetrathiacyclohexadecane-3,11-diol
CID 373813
1-((2-Hydroxyethyl)thio)propan-2-ol
CID 110919
1,3-Bis(2-hydroxyethylthio)propane
CID 373735
2-Propanol, 1,1'-thiobis-
CID 95454
1-(Butylsulfanyl)propan-2-ol
CID 3041052
2-((5-((2-Hydroxyethyl)sulfanyl)pentyl)sulfanyl)ethan-1-ol
CID 223140
1,4-Bis(2-hydroxyethylthio)butane
CID 81927
2-[3-(Methoxymethylsulfanyl)butylsulfanyl]ethanol
CID 156014341
2-Propanol, 1-(ethylthio)-
CID 86041
1,3-Bis((2-hydroxyethyl)sulfanyl)propan-2-ol
CID 220301
1,4,8,11-Tetrathiacyclotetradecan-6-ol
CID 373840

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol?
The IUPAC name of 1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol (CID 554366) is 1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol is CC(O)CSCCSCC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol?
The InChIKey is TVJMNKFRSJHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c1-7(9)5-11-3-4-12-6-8(2)10/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol?
1-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propan-2-ol has a molecular weight of 210.36 g/mol, XLogP of 1.21, 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)ethylsulfanyl]propan-2-ol is sourced from PubChem (CID 554366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).