imino(methylidene)azanium;sulfane

CH5N2S+ — CID 173272910

IUPACimino(methylidene)azanium;sulfane
SMILESC=[N+]=N.S
InChIInChI=1S/CH3N2.H2S/c1-3-2;/h2H,1H2;1H2/q+1;
InChIKeyAEIMJYGRIMFZNW-UHFFFAOYSA-N
MW77.13 g/mol
LogP0.04
Rot. Bonds

About imino(methylidene)azanium;sulfane

imino(methylidene)azanium;sulfane (PubChem CID 173272910) has the molecular formula CH5N2S+ and a molecular weight of 77.13 g/mol. Its IUPAC name is imino(methylidene)azanium;sulfane.

Molecular Properties

Compound Nameimino(methylidene)azanium;sulfane
PubChem CID173272910
Molecular FormulaCH5N2S+
Molecular Weight77.13 g/mol
Exact Mass77.02
IUPAC Nameimino(methylidene)azanium;sulfane
SMILESC=[N+]=N.S
InChIInChI=1S/CH3N2.H2S/c1-3-2;/h2H,1H2;1H2/q+1;
InChIKeyAEIMJYGRIMFZNW-UHFFFAOYSA-N
XLogP0.04
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.13
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imino(methylidene)azanium;sulfane?
The IUPAC name of imino(methylidene)azanium;sulfane (CID 173272910) is imino(methylidene)azanium;sulfane.
What is the SMILES notation for imino(methylidene)azanium;sulfane?
The canonical SMILES for imino(methylidene)azanium;sulfane is C=[N+]=N.S.
What is the InChIKey of imino(methylidene)azanium;sulfane?
The InChIKey is AEIMJYGRIMFZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N2.H2S/c1-3-2;/h2H,1H2;1H2/q+1;.
What are the key properties of imino(methylidene)azanium;sulfane?
imino(methylidene)azanium;sulfane has a molecular weight of 77.13 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for imino(methylidene)azanium;sulfane is sourced from PubChem (CID 173272910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).