azanium N-methylcarbamodithioate

C2H8N2S2 — CID 3036568

IUPACazanium N-methylcarbamodithioate
SMILESCNC(=S)[S-].[NH4+]
InChIInChI=1S/C2H5NS2.H3N/c1-3-2(4)5;/h1H3,(H2,3,4,5);1H3
InChIKeyLVYAMPSKHSIFNV-UHFFFAOYSA-N
MW124.23 g/mol
LogP0.41
Rot. Bonds

About azanium N-methylcarbamodithioate

azanium N-methylcarbamodithioate (PubChem CID 3036568) has the molecular formula C2H8N2S2 and a molecular weight of 124.23 g/mol. Its IUPAC name is azanium N-methylcarbamodithioate.

Molecular Properties

Compound Nameazanium N-methylcarbamodithioate
PubChem CID3036568
Molecular FormulaC2H8N2S2
Molecular Weight124.23 g/mol
Exact Mass124.01
IUPAC Nameazanium N-methylcarbamodithioate
SMILESCNC(=S)[S-].[NH4+]
InChIInChI=1S/C2H5NS2.H3N/c1-3-2(4)5;/h1H3,(H2,3,4,5);1H3
InChIKeyLVYAMPSKHSIFNV-UHFFFAOYSA-N
XLogP0.41
TPSA48.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium N-methylcarbamodithioate?
The IUPAC name of azanium N-methylcarbamodithioate (CID 3036568) is azanium N-methylcarbamodithioate.
What is the SMILES notation for azanium N-methylcarbamodithioate?
The canonical SMILES for azanium N-methylcarbamodithioate is CNC(=S)[S-].[NH4+].
What is the InChIKey of azanium N-methylcarbamodithioate?
The InChIKey is LVYAMPSKHSIFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NS2.H3N/c1-3-2(4)5;/h1H3,(H2,3,4,5);1H3.
What are the key properties of azanium N-methylcarbamodithioate?
azanium N-methylcarbamodithioate has a molecular weight of 124.23 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-methylcarbamodithioate is sourced from PubChem (CID 3036568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).