2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine

C10H10INS2 — CID 22016856

IUPAC2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESIc1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C10H10INS2/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2
InChIKeyJLHMMIMFMVUESO-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.88
Rot. Bonds1

About 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine

2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 22016856) has the molecular formula C10H10INS2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID22016856
Molecular FormulaC10H10INS2
Molecular Weight335.24 g/mol
Exact Mass334.93
IUPAC Name2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESIc1ccc(SC2=NCCCS2)cc1
InChIInChI=1S/C10H10INS2/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2
InChIKeyJLHMMIMFMVUESO-UHFFFAOYSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine (CID 22016856) is 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is Ic1ccc(SC2=NCCCS2)cc1.
What is the InChIKey of 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is JLHMMIMFMVUESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INS2/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2.
What are the key properties of 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine?
2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 335.24 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)sulfanyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 22016856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).