2-(2-iodophenyl)sulfanylethanol

C8H9IOS — CID 131862769

IUPAC2-(2-iodophenyl)sulfanylethanol
SMILESOCCSc1ccccc1I
InChIInChI=1S/C8H9IOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyOUEBWSAMSFECHR-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.38
Rot. Bonds3

About 2-(2-iodophenyl)sulfanylethanol

2-(2-iodophenyl)sulfanylethanol (PubChem CID 131862769) has the molecular formula C8H9IOS and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-(2-iodophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-iodophenyl)sulfanylethanol
PubChem CID131862769
Molecular FormulaC8H9IOS
Molecular Weight280.13 g/mol
Exact Mass279.94
IUPAC Name2-(2-iodophenyl)sulfanylethanol
SMILESOCCSc1ccccc1I
InChIInChI=1S/C8H9IOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyOUEBWSAMSFECHR-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)phenyl]sulfanylethanol
CID 63808391
2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 54185176
2-(1-benzofuran-3-ylsulfanyl)ethanol
CID 116852716
2-[2-(propylaminomethyl)phenyl]sulfanylethanol
CID 63807692
(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 63836108
2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol
CID 71336174
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
2-phenylsulfanylethanol;prop-2-enoic acid
CID 175060305
2-(2,3,4-trimethylphenyl)sulfanylethanol
CID 116852718
4-(2-hydroxyethylsulfanyl)chromen-2-one
CID 119082990
2-[2-(2-bromophenyl)sulfanylethoxy]ethanol
CID 61074810
2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
CID 63808921

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)sulfanylethanol?
The IUPAC name of 2-(2-iodophenyl)sulfanylethanol (CID 131862769) is 2-(2-iodophenyl)sulfanylethanol.
What is the SMILES notation for 2-(2-iodophenyl)sulfanylethanol?
The canonical SMILES for 2-(2-iodophenyl)sulfanylethanol is OCCSc1ccccc1I.
What is the InChIKey of 2-(2-iodophenyl)sulfanylethanol?
The InChIKey is OUEBWSAMSFECHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2.
What are the key properties of 2-(2-iodophenyl)sulfanylethanol?
2-(2-iodophenyl)sulfanylethanol has a molecular weight of 280.13 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)sulfanylethanol is sourced from PubChem (CID 131862769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).