diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide

CH6F5N5O2S — CID 139126138

IUPACdiaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide
SMILESNC(N)=[NH2+].O=[N+]([O-])[N-]S(F)(F)(F)(F)F
InChIInChI=1S/CH5N3.F5N2O2S/c2-1(3)4;1-10(2,3,4,5)6-7(8)9/h(H5,2,3,4);/q;-1/p+1
InChIKeyFRKFVLOCWUQYTD-UHFFFAOYSA-O
MW247.15 g/mol
LogP-0.22
Rot. Bonds2

About diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide

diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide (PubChem CID 139126138) has the molecular formula CH6F5N5O2S and a molecular weight of 247.15 g/mol. Its IUPAC name is diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide.

Molecular Properties

Compound Namediaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide
PubChem CID139126138
Molecular FormulaCH6F5N5O2S
Molecular Weight247.15 g/mol
Exact Mass247.02
IUPAC Namediaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide
SMILESNC(N)=[NH2+].O=[N+]([O-])[N-]S(F)(F)(F)(F)F
InChIInChI=1S/CH5N3.F5N2O2S/c2-1(3)4;1-10(2,3,4,5)6-7(8)9/h(H5,2,3,4);/q;-1/p+1
InChIKeyFRKFVLOCWUQYTD-UHFFFAOYSA-O
XLogP-0.22
TPSA134.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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nitric acid;urea;hexahydrate
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aluminum;diaminomethylideneazanium;sulfate
CID 135853176
bis(diaminomethylideneazanium) diiodate
CID 139046601
nitric acid;vanadium;dihydrate
CID 174936942
barium(2+);hydride;nitric acid
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azane;guanidine;bis(nitric acid)
CID 174540476
azanium;formaldehyde;urea;nitrate
CID 172716681
[amino-(carbamoylamino)methylidene]azanium;[4,6-bis(difluoroamino)-1,3,5-triazin-2-yl]-nitroazanide
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Frequently Asked Questions

What is the IUPAC name of diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide?
The IUPAC name of diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide (CID 139126138) is diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide.
What is the SMILES notation for diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide?
The canonical SMILES for diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide is NC(N)=[NH2+].O=[N+]([O-])[N-]S(F)(F)(F)(F)F.
What is the InChIKey of diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide?
The InChIKey is FRKFVLOCWUQYTD-UHFFFAOYSA-O. The full InChI is InChI=1S/CH5N3.F5N2O2S/c2-1(3)4;1-10(2,3,4,5)6-7(8)9/h(H5,2,3,4);/q;-1/p+1.
What are the key properties of diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide?
diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide has a molecular weight of 247.15 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylideneazanium;nitro-(pentafluoro-λ6-sulfanyl)azanide is sourced from PubChem (CID 139126138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).