(2-iodophenyl)-(5-methylthiophen-3-yl)methanone

C12H9IOS — CID 114976064

IUPAC(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccccc2I)cs1
InChIInChI=1S/C12H9IOS/c1-8-6-9(7-15-8)12(14)10-4-2-3-5-11(10)13/h2-7H,1H3
InChIKeyAOPMPWMBUIDSKT-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.89
Rot. Bonds2

About (2-iodophenyl)-(5-methylthiophen-3-yl)methanone

(2-iodophenyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 114976064) has the molecular formula C12H9IOS and a molecular weight of 328.17 g/mol. Its IUPAC name is (2-iodophenyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
PubChem CID114976064
Molecular FormulaC12H9IOS
Molecular Weight328.17 g/mol
Exact Mass327.94
IUPAC Name(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccccc2I)cs1
InChIInChI=1S/C12H9IOS/c1-8-6-9(7-15-8)12(14)10-4-2-3-5-11(10)13/h2-7H,1H3
InChIKeyAOPMPWMBUIDSKT-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
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 (2-iodophenyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (2-iodophenyl)-(5-methylthiophen-3-yl)methanone (CID 114976064) is (2-iodophenyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccccc2I)cs1.
What is the InChIKey of (2-iodophenyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is AOPMPWMBUIDSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IOS/c1-8-6-9(7-15-8)12(14)10-4-2-3-5-11(10)13/h2-7H,1H3.
What are the key properties of (2-iodophenyl)-(5-methylthiophen-3-yl)methanone?
(2-iodophenyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 328.17 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114976064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).