(1R)-1-(2-iodophenyl)ethanethiol

C8H9IS — CID 87431963

IUPAC(1R)-1-(2-iodophenyl)ethanethiol
SMILESC[C@@H](S)c1ccccc1I
InChIInChI=1S/C8H9IS/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m1/s1
InChIKeyTXCMAKQQZOGFLH-ZCFIWIBFSA-N
MW264.13 g/mol
LogP3.28
Rot. Bonds1

About (1R)-1-(2-iodophenyl)ethanethiol

(1R)-1-(2-iodophenyl)ethanethiol (PubChem CID 87431963) has the molecular formula C8H9IS and a molecular weight of 264.13 g/mol. Its IUPAC name is (1R)-1-(2-iodophenyl)ethanethiol.

Molecular Properties

Compound Name(1R)-1-(2-iodophenyl)ethanethiol
PubChem CID87431963
Molecular FormulaC8H9IS
Molecular Weight264.13 g/mol
Exact Mass263.95
IUPAC Name(1R)-1-(2-iodophenyl)ethanethiol
SMILESC[C@@H](S)c1ccccc1I
InChIInChI=1S/C8H9IS/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m1/s1
InChIKeyTXCMAKQQZOGFLH-ZCFIWIBFSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-iodophenyl)ethanethiol?
The IUPAC name of (1R)-1-(2-iodophenyl)ethanethiol (CID 87431963) is (1R)-1-(2-iodophenyl)ethanethiol.
What is the SMILES notation for (1R)-1-(2-iodophenyl)ethanethiol?
The canonical SMILES for (1R)-1-(2-iodophenyl)ethanethiol is C[C@@H](S)c1ccccc1I.
What is the InChIKey of (1R)-1-(2-iodophenyl)ethanethiol?
The InChIKey is TXCMAKQQZOGFLH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9IS/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(2-iodophenyl)ethanethiol?
(1R)-1-(2-iodophenyl)ethanethiol has a molecular weight of 264.13 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-iodophenyl)ethanethiol is sourced from PubChem (CID 87431963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).