CID 87293185

C7H11N3O2SSe — CID 87293185

IUPAC—
SMILESCCn1cc[n+](C)c1.N#C[Se](=O)([O-])=S
InChIInChI=1S/C6H11N2.CHNO2SSe/c1-3-8-5-4-7(2)6-8;2-1-6(3,4)5/h4-6H,3H2,1-2H3;(H,3,4,5)/q+1;/p-1
InChIKeySZMUPWUTNCCEOP-UHFFFAOYSA-M
MW280.21 g/mol
LogP-0.69
Rot. Bonds1

About CID 87293185

CID 87293185 (PubChem CID 87293185) has the molecular formula C7H11N3O2SSe and a molecular weight of 280.21 g/mol.

Molecular Properties

Compound NameCID 87293185
PubChem CID87293185
Molecular FormulaC7H11N3O2SSe
Molecular Weight280.21 g/mol
Exact Mass280.97
IUPAC Name—
SMILESCCn1cc[n+](C)c1.N#C[Se](=O)([O-])=S
InChIInChI=1S/C6H11N2.CHNO2SSe/c1-3-8-5-4-7(2)6-8;2-1-6(3,4)5/h4-6H,3H2,1-2H3;(H,3,4,5)/q+1;/p-1
InChIKeySZMUPWUTNCCEOP-UHFFFAOYSA-M
XLogP-0.69
TPSA72.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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bis(1-ethyl-3-methylimidazol-3-ium);sulfate
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tris(1-ethyl-3-methylimidazol-3-ium);phosphite
CID 140574396
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CID 87529717
1-ethyl-3-methylimidazol-3-ium;sulfuric acid;sulfur monoxide
CID 160555581
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425
sodium;cyanocyanamide;1-ethyl-3-methylimidazol-3-ium;dichloride;hydrochloride
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2-cyanoethenylideneazanide;1-ethyl-3-methylimidazol-3-ium
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1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
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Frequently Asked Questions

What is the IUPAC name of CID 87293185?
The IUPAC name of CID 87293185 (CID 87293185) is not available.
What is the SMILES notation for CID 87293185?
The canonical SMILES for CID 87293185 is CCn1cc[n+](C)c1.N#C[Se](=O)([O-])=S.
What is the InChIKey of CID 87293185?
The InChIKey is SZMUPWUTNCCEOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N2.CHNO2SSe/c1-3-8-5-4-7(2)6-8;2-1-6(3,4)5/h4-6H,3H2,1-2H3;(H,3,4,5)/q+1;/p-1.
What are the key properties of CID 87293185?
CID 87293185 has a molecular weight of 280.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87293185 is sourced from PubChem (CID 87293185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).