2-sulfanylidene-1H-pyridine-3-carbonyl iodide

C6H4INOS — CID 129273126

IUPAC2-sulfanylidene-1H-pyridine-3-carbonyl iodide
SMILESO=C(I)c1ccc[nH]c1=S
InChIInChI=1S/C6H4INOS/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H,8,10)
InChIKeyFCLGOZNPNWHWDQ-UHFFFAOYSA-N
MW265.08 g/mol
LogP2.32
Rot. Bonds1

About 2-sulfanylidene-1H-pyridine-3-carbonyl iodide

2-sulfanylidene-1H-pyridine-3-carbonyl iodide (PubChem CID 129273126) has the molecular formula C6H4INOS and a molecular weight of 265.08 g/mol. Its IUPAC name is 2-sulfanylidene-1H-pyridine-3-carbonyl iodide.

Molecular Properties

Compound Name2-sulfanylidene-1H-pyridine-3-carbonyl iodide
PubChem CID129273126
Molecular FormulaC6H4INOS
Molecular Weight265.08 g/mol
Exact Mass264.91
IUPAC Name2-sulfanylidene-1H-pyridine-3-carbonyl iodide
SMILESO=C(I)c1ccc[nH]c1=S
InChIInChI=1S/C6H4INOS/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H,8,10)
InChIKeyFCLGOZNPNWHWDQ-UHFFFAOYSA-N
XLogP2.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

silver 2-sulfanylidene-1H-pyridine-3-carboxylate
CID 3006066
ethane;2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 91103055
1-(2-sulfanylidene-1H-pyridin-3-yl)propan-1-one
CID 77228632
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 130634637
N-(3-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78855806
N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537773
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
N'-(4-bromobenzoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 43046479
3-chloro-1H-pyridine-2-thione
CID 13476973
pentyl 2-sulfanylidene-1H-pyridine-3-carboxylate
CID 67377626
N-butyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 52561835
N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 23151044

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1H-pyridine-3-carbonyl iodide?
The IUPAC name of 2-sulfanylidene-1H-pyridine-3-carbonyl iodide (CID 129273126) is 2-sulfanylidene-1H-pyridine-3-carbonyl iodide.
What is the SMILES notation for 2-sulfanylidene-1H-pyridine-3-carbonyl iodide?
The canonical SMILES for 2-sulfanylidene-1H-pyridine-3-carbonyl iodide is O=C(I)c1ccc[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-1H-pyridine-3-carbonyl iodide?
The InChIKey is FCLGOZNPNWHWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4INOS/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H,8,10).
What are the key properties of 2-sulfanylidene-1H-pyridine-3-carbonyl iodide?
2-sulfanylidene-1H-pyridine-3-carbonyl iodide has a molecular weight of 265.08 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1H-pyridine-3-carbonyl iodide is sourced from PubChem (CID 129273126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).