(5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite

C6H10INS — CID 143744968

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite
SMILESCC1=CCCN(SI)C1
InChIInChI=1S/C6H10INS/c1-6-3-2-4-8(5-6)9-7/h3H,2,4-5H2,1H3
InChIKeyJNKQLAVXNSBQLL-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.64
Rot. Bonds1

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite

(5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite (PubChem CID 143744968) has the molecular formula C6H10INS and a molecular weight of 255.12 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite
PubChem CID143744968
Molecular FormulaC6H10INS
Molecular Weight255.12 g/mol
Exact Mass254.96
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite
SMILESCC1=CCCN(SI)C1
InChIInChI=1S/C6H10INS/c1-6-3-2-4-8(5-6)9-7/h3H,2,4-5H2,1H3
InChIKeyJNKQLAVXNSBQLL-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite (CID 143744968) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite is CC1=CCCN(SI)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite?
The InChIKey is JNKQLAVXNSBQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INS/c1-6-3-2-4-8(5-6)9-7/h3H,2,4-5H2,1H3.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite has a molecular weight of 255.12 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl) thiohypoiodite is sourced from PubChem (CID 143744968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).