triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane

C10H9I3N2S — CID 145256669

IUPACtriiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane
SMILESCc1ccc2n[nH]c(/C=C/S(I)(I)I)c2c1
InChIInChI=1S/C10H9I3N2S/c1-7-2-3-9-8(6-7)10(15-14-9)4-5-16(11,12)13/h2-6H,1H3,(H,14,15)/b5-4+
InChIKeyGGAFZMWNXMVSAS-SNAWJCMRSA-N
MW569.98 g/mol
LogP5.70
Rot. Bonds2

About triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane

triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane (PubChem CID 145256669) has the molecular formula C10H9I3N2S and a molecular weight of 569.98 g/mol. Its IUPAC name is triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane.

Molecular Properties

Compound Nametriiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane
PubChem CID145256669
Molecular FormulaC10H9I3N2S
Molecular Weight569.98 g/mol
Exact Mass569.76
IUPAC Nametriiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane
SMILESCc1ccc2n[nH]c(/C=C/S(I)(I)I)c2c1
InChIInChI=1S/C10H9I3N2S/c1-7-2-3-9-8(6-7)10(15-14-9)4-5-16(11,12)13/h2-6H,1H3,(H,14,15)/b5-4+
InChIKeyGGAFZMWNXMVSAS-SNAWJCMRSA-N
XLogP5.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.98
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2H-indazole-5-carboxylate
CID 163472761
3,5-bis(2-phenylethenyl)-2H-indazole
CID 69468999
5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734155
5-iodo-2H-indazole-3-carbaldehyde
CID 23134546
6-methyl-3-nitro-2H-indazole
CID 135883511
2,9-dimethylbenzo[c]cinnoline
CID 14472808
5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde
CID 88928943
N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine
CID 169474370
5-methyl-2H-benzotriazole;molecular hydrogen
CID 142249958
3-(5-nitro-2H-indazol-3-yl)prop-2-ene-1-thiol
CID 169455971
bis(5-methyl-2H-benzotriazole);sulfate
CID 21118102
10-bromo-3,6-dimethylphenanthrene-9-carbaldehyde
CID 86172567

Frequently Asked Questions

What is the IUPAC name of triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane?
The IUPAC name of triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane (CID 145256669) is triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane.
What is the SMILES notation for triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane?
The canonical SMILES for triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane is Cc1ccc2n[nH]c(/C=C/S(I)(I)I)c2c1.
What is the InChIKey of triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane?
The InChIKey is GGAFZMWNXMVSAS-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H9I3N2S/c1-7-2-3-9-8(6-7)10(15-14-9)4-5-16(11,12)13/h2-6H,1H3,(H,14,15)/b5-4+.
What are the key properties of triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane?
triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane has a molecular weight of 569.98 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triiodo-[(E)-2-(5-methyl-2H-indazol-3-yl)ethenyl]-λ4-sulfane is sourced from PubChem (CID 145256669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).