(1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite

C6H11IN2S — CID 135291574

IUPAC(1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite
SMILESCCN1CCCN=C1SI
InChIInChI=1S/C6H11IN2S/c1-2-9-5-3-4-8-6(9)10-7/h2-5H2,1H3
InChIKeyHUQUNQKDPBZTQB-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.15
Rot. Bonds1

About (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite

(1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite (PubChem CID 135291574) has the molecular formula C6H11IN2S and a molecular weight of 270.14 g/mol. Its IUPAC name is (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite.

Molecular Properties

Compound Name(1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite
PubChem CID135291574
Molecular FormulaC6H11IN2S
Molecular Weight270.14 g/mol
Exact Mass269.97
IUPAC Name(1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite
SMILESCCN1CCCN=C1SI
InChIInChI=1S/C6H11IN2S/c1-2-9-5-3-4-8-6(9)10-7/h2-5H2,1H3
InChIKeyHUQUNQKDPBZTQB-UHFFFAOYSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.15
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 (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite?
The IUPAC name of (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite (CID 135291574) is (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite.
What is the SMILES notation for (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite?
The canonical SMILES for (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite is CCN1CCCN=C1SI.
What is the InChIKey of (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite?
The InChIKey is HUQUNQKDPBZTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN2S/c1-2-9-5-3-4-8-6(9)10-7/h2-5H2,1H3.
What are the key properties of (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite?
(1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite has a molecular weight of 270.14 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5,6-dihydro-4H-pyrimidin-2-yl) thiohypoiodite is sourced from PubChem (CID 135291574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).