2-ethenyl-1,3-benzothiazole;hydroiodide

C9H8INS — CID 173330780

IUPAC2-ethenyl-1,3-benzothiazole;hydroiodide
SMILESC=Cc1nc2ccccc2s1.I
InChIInChI=1S/C9H7NS.HI/c1-2-9-10-7-5-3-4-6-8(7)11-9;/h2-6H,1H2;1H
InChIKeyJNRPLTWDOYKGQA-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.56
Rot. Bonds1

About 2-ethenyl-1,3-benzothiazole;hydroiodide

2-ethenyl-1,3-benzothiazole;hydroiodide (PubChem CID 173330780) has the molecular formula C9H8INS and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-ethenyl-1,3-benzothiazole;hydroiodide.

Molecular Properties

Compound Name2-ethenyl-1,3-benzothiazole;hydroiodide
PubChem CID173330780
Molecular FormulaC9H8INS
Molecular Weight289.14 g/mol
Exact Mass288.94
IUPAC Name2-ethenyl-1,3-benzothiazole;hydroiodide
SMILESC=Cc1nc2ccccc2s1.I
InChIInChI=1S/C9H7NS.HI/c1-2-9-10-7-5-3-4-6-8(7)11-9;/h2-6H,1H2;1H
InChIKeyJNRPLTWDOYKGQA-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
CID 135703658
1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine
CID 102287449
2-(2,2-dibromoethenyl)-1,3-benzothiazole
CID 139773786
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
(1S,2R)-1-(1,3-benzothiazol-2-yl)-2-methylbut-3-en-1-ol
CID 10856987
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,3-benzothiazole
CID 11790904
N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine
CID 142937013
2-[2-(3,4,5-trimethylthiophen-2-yl)ethenyl]-1,3-benzothiazole
CID 72648028
2-(4-pyridin-2-ylbuta-1,3-dienyl)-1,3-benzothiazole
CID 155776746

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3-benzothiazole;hydroiodide?
The IUPAC name of 2-ethenyl-1,3-benzothiazole;hydroiodide (CID 173330780) is 2-ethenyl-1,3-benzothiazole;hydroiodide.
What is the SMILES notation for 2-ethenyl-1,3-benzothiazole;hydroiodide?
The canonical SMILES for 2-ethenyl-1,3-benzothiazole;hydroiodide is C=Cc1nc2ccccc2s1.I.
What is the InChIKey of 2-ethenyl-1,3-benzothiazole;hydroiodide?
The InChIKey is JNRPLTWDOYKGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.HI/c1-2-9-10-7-5-3-4-6-8(7)11-9;/h2-6H,1H2;1H.
What are the key properties of 2-ethenyl-1,3-benzothiazole;hydroiodide?
2-ethenyl-1,3-benzothiazole;hydroiodide has a molecular weight of 289.14 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3-benzothiazole;hydroiodide is sourced from PubChem (CID 173330780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).