(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide

C11H12INO2S — CID 129043365

IUPAC(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide
SMILESC=C(C)/C=c1/cccn/c1=C(/C)S(=O)(=O)I
InChIInChI=1S/C11H12INO2S/c1-8(2)7-10-5-4-6-13-11(10)9(3)16(12,14)15/h4-7H,1H2,2-3H3/b10-7-,11-9-
InChIKeyVHSDFQPKUUMMEV-HDEMWOFXSA-N
MW349.19 g/mol
LogP1.33
Rot. Bonds2

About (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide

(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide (PubChem CID 129043365) has the molecular formula C11H12INO2S and a molecular weight of 349.19 g/mol. Its IUPAC name is (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide.

Molecular Properties

Compound Name(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide
PubChem CID129043365
Molecular FormulaC11H12INO2S
Molecular Weight349.19 g/mol
Exact Mass348.96
IUPAC Name(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide
SMILESC=C(C)/C=c1/cccn/c1=C(/C)S(=O)(=O)I
InChIInChI=1S/C11H12INO2S/c1-8(2)7-10-5-4-6-13-11(10)9(3)16(12,14)15/h4-7H,1H2,2-3H3/b10-7-,11-9-
InChIKeyVHSDFQPKUUMMEV-HDEMWOFXSA-N
XLogP1.33
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.33
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 (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide?
The IUPAC name of (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide (CID 129043365) is (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide.
What is the SMILES notation for (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide?
The canonical SMILES for (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide is C=C(C)/C=c1/cccn/c1=C(/C)S(=O)(=O)I.
What is the InChIKey of (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide?
The InChIKey is VHSDFQPKUUMMEV-HDEMWOFXSA-N. The full InChI is InChI=1S/C11H12INO2S/c1-8(2)7-10-5-4-6-13-11(10)9(3)16(12,14)15/h4-7H,1H2,2-3H3/b10-7-,11-9-.
What are the key properties of (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide?
(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide has a molecular weight of 349.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide is sourced from PubChem (CID 129043365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).