2-(2-phenylsulfanylethylsulfanyl)propan-1-ol

C11H16OS2 — CID 115882650

IUPAC2-(2-phenylsulfanylethylsulfanyl)propan-1-ol
SMILESCC(CO)SCCSc1ccccc1
InChIInChI=1S/C11H16OS2/c1-10(9-12)13-7-8-14-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyADMAXCAJKVHGMU-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.89
Rot. Bonds6

About 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol

2-(2-phenylsulfanylethylsulfanyl)propan-1-ol (PubChem CID 115882650) has the molecular formula C11H16OS2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-phenylsulfanylethylsulfanyl)propan-1-ol
PubChem CID115882650
Molecular FormulaC11H16OS2
Molecular Weight228.38 g/mol
Exact Mass228.06
IUPAC Name2-(2-phenylsulfanylethylsulfanyl)propan-1-ol
SMILESCC(CO)SCCSc1ccccc1
InChIInChI=1S/C11H16OS2/c1-10(9-12)13-7-8-14-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyADMAXCAJKVHGMU-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
(2S)-3-methyl-2-(2-phenylsulfanylethylamino)butan-1-ol
CID 79249697
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
3-[2-(4-fluorophenyl)sulfanylethylsulfanyl]butanoic acid
CID 66138274
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol
CID 79228749
4-(2-phenylsulfanylethylsulfanyl)butan-2-amine
CID 79222065
2-methyl-6-phenylsulfanylhexan-3-ol
CID 79228840
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol?
The IUPAC name of 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol (CID 115882650) is 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol is CC(CO)SCCSc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol?
The InChIKey is ADMAXCAJKVHGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS2/c1-10(9-12)13-7-8-14-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol?
2-(2-phenylsulfanylethylsulfanyl)propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethylsulfanyl)propan-1-ol is sourced from PubChem (CID 115882650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).