2-(2-phenylethylsulfanyl)ethanol

C10H14OS — CID 19605

IUPAC2-(2-phenylethylsulfanyl)ethanol
SMILESOCCSCCc1ccccc1
InChIInChI=1S/C10H14OS/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyKGZHEXGRHGYQNI-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.95
Rot. Bonds5

About 2-(2-phenylethylsulfanyl)ethanol

2-(2-phenylethylsulfanyl)ethanol (PubChem CID 19605) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)ethanol
PubChem CID19605
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-(2-phenylethylsulfanyl)ethanol
SMILESOCCSCCc1ccccc1
InChIInChI=1S/C10H14OS/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyKGZHEXGRHGYQNI-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((Phenylmethyl)thio)acetic acid
CID 66897
2-((2-Phenylethyl)sulfanyl)acetic acid
CID 292540
2-(((4-Chlorophenyl)methyl)thio)ethanol
CID 198536
2-(3-Phenylpropanethioylsulfanyl)acetic acid
CID 19858464
Allyl(benzyl)sulfide
CID 232030
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
1-(Benzylthio)acetone
CID 82472
2-(Benzylsulfanyl)acetaldehyde
CID 244080
2-(Tritylsulfanyl)ethanol
CID 279370
1,1,1-Trifluoro-3-(2-phenylethylsulfanyl)propane-2,2-diol
CID 44569912
[(2-Phenylethanethioyl)sulfanyl]acetic acid
CID 12394708
2-(Benzylthio)ethanol
CID 77486

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)ethanol?
The IUPAC name of 2-(2-phenylethylsulfanyl)ethanol (CID 19605) is 2-(2-phenylethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)ethanol?
The canonical SMILES for 2-(2-phenylethylsulfanyl)ethanol is OCCSCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)ethanol?
The InChIKey is KGZHEXGRHGYQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 2-(2-phenylethylsulfanyl)ethanol?
2-(2-phenylethylsulfanyl)ethanol has a molecular weight of 182.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)ethanol is sourced from PubChem (CID 19605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).