3-chloro-6-iodo-2-methylsulfanylphenol

C7H6ClIOS — CID 171368115

IUPAC3-chloro-6-iodo-2-methylsulfanylphenol
SMILESCSc1c(Cl)ccc(I)c1O
InChIInChI=1S/C7H6ClIOS/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3,10H,1H3
InChIKeyGRJRKRMQTPICQI-UHFFFAOYSA-N
MW300.55 g/mol
LogP3.37
Rot. Bonds1

About 3-chloro-6-iodo-2-methylsulfanylphenol

3-chloro-6-iodo-2-methylsulfanylphenol (PubChem CID 171368115) has the molecular formula C7H6ClIOS and a molecular weight of 300.55 g/mol. Its IUPAC name is 3-chloro-6-iodo-2-methylsulfanylphenol.

Molecular Properties

Compound Name3-chloro-6-iodo-2-methylsulfanylphenol
PubChem CID171368115
Molecular FormulaC7H6ClIOS
Molecular Weight300.55 g/mol
Exact Mass299.89
IUPAC Name3-chloro-6-iodo-2-methylsulfanylphenol
SMILESCSc1c(Cl)ccc(I)c1O
InChIInChI=1S/C7H6ClIOS/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3,10H,1H3
InChIKeyGRJRKRMQTPICQI-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-iodo-2-methylsulfanylphenol?
The IUPAC name of 3-chloro-6-iodo-2-methylsulfanylphenol (CID 171368115) is 3-chloro-6-iodo-2-methylsulfanylphenol.
What is the SMILES notation for 3-chloro-6-iodo-2-methylsulfanylphenol?
The canonical SMILES for 3-chloro-6-iodo-2-methylsulfanylphenol is CSc1c(Cl)ccc(I)c1O.
What is the InChIKey of 3-chloro-6-iodo-2-methylsulfanylphenol?
The InChIKey is GRJRKRMQTPICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClIOS/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3,10H,1H3.
What are the key properties of 3-chloro-6-iodo-2-methylsulfanylphenol?
3-chloro-6-iodo-2-methylsulfanylphenol has a molecular weight of 300.55 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-iodo-2-methylsulfanylphenol is sourced from PubChem (CID 171368115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).