bis(nitric acid);9-thiabicyclo[3.3.1]nonane

C8H16N2O6S — CID 175716053

IUPACbis(nitric acid);9-thiabicyclo[3.3.1]nonane
SMILESC1CC2CCCC(C1)S2.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C8H14S.2HNO3/c1-3-7-5-2-6-8(4-1)9-7;2*2-1(3)4/h7-8H,1-6H2;2*(H,2,3,4)
InChIKeyHNSJZTISNUDKAQ-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.13
Rot. Bonds

About bis(nitric acid);9-thiabicyclo[3.3.1]nonane

bis(nitric acid);9-thiabicyclo[3.3.1]nonane (PubChem CID 175716053) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is bis(nitric acid);9-thiabicyclo[3.3.1]nonane.

Molecular Properties

Compound Namebis(nitric acid);9-thiabicyclo[3.3.1]nonane
PubChem CID175716053
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Namebis(nitric acid);9-thiabicyclo[3.3.1]nonane
SMILESC1CC2CCCC(C1)S2.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C8H14S.2HNO3/c1-3-7-5-2-6-8(4-1)9-7;2*2-1(3)4/h7-8H,1-6H2;2*(H,2,3,4)
InChIKeyHNSJZTISNUDKAQ-UHFFFAOYSA-N
XLogP2.13
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
CID 20519095
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CID 162188863
dicyclohexyldiazene;nitric acid
CID 19801404
hydrogen peroxide;nitric acid
CID 22590704
lutetium;nitric acid
CID 54604402
nitric acid;dodecahydrate
CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
nickel;nitric acid
CID 157159085
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
cadmium;bis(nitric acid)
CID 72833329
azane;decakis(nitric acid)
CID 173055393
azane;(nitric acid)
CID 173431766

Frequently Asked Questions

What is the IUPAC name of bis(nitric acid);9-thiabicyclo[3.3.1]nonane?
The IUPAC name of bis(nitric acid);9-thiabicyclo[3.3.1]nonane (CID 175716053) is bis(nitric acid);9-thiabicyclo[3.3.1]nonane.
What is the SMILES notation for bis(nitric acid);9-thiabicyclo[3.3.1]nonane?
The canonical SMILES for bis(nitric acid);9-thiabicyclo[3.3.1]nonane is C1CC2CCCC(C1)S2.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of bis(nitric acid);9-thiabicyclo[3.3.1]nonane?
The InChIKey is HNSJZTISNUDKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S.2HNO3/c1-3-7-5-2-6-8(4-1)9-7;2*2-1(3)4/h7-8H,1-6H2;2*(H,2,3,4).
What are the key properties of bis(nitric acid);9-thiabicyclo[3.3.1]nonane?
bis(nitric acid);9-thiabicyclo[3.3.1]nonane has a molecular weight of 268.29 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nitric acid);9-thiabicyclo[3.3.1]nonane is sourced from PubChem (CID 175716053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).