azane;methylcarbamodithioic acid

C2H8N2S2 — CID 14221609

IUPACazane;methylcarbamodithioic acid
SMILESCNC(=S)S.N
InChIInChI=1S/C2H5NS2.H3N/c1-3-2(4)5;/h1H3,(H2,3,4,5);1H3
InChIKeyLVYAMPSKHSIFNV-UHFFFAOYSA-N
MW124.23 g/mol
LogP0.58
Rot. Bonds

About azane;methylcarbamodithioic acid

azane;methylcarbamodithioic acid (PubChem CID 14221609) has the molecular formula C2H8N2S2 and a molecular weight of 124.23 g/mol. Its IUPAC name is azane;methylcarbamodithioic acid.

Molecular Properties

Compound Nameazane;methylcarbamodithioic acid
PubChem CID14221609
Molecular FormulaC2H8N2S2
Molecular Weight124.23 g/mol
Exact Mass124.01
IUPAC Nameazane;methylcarbamodithioic acid
SMILESCNC(=S)S.N
InChIInChI=1S/C2H5NS2.H3N/c1-3-2(4)5;/h1H3,(H2,3,4,5);1H3
InChIKeyLVYAMPSKHSIFNV-UHFFFAOYSA-N
XLogP0.58
TPSA47.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;methylcarbamodithioic acid?
The IUPAC name of azane;methylcarbamodithioic acid (CID 14221609) is azane;methylcarbamodithioic acid.
What is the SMILES notation for azane;methylcarbamodithioic acid?
The canonical SMILES for azane;methylcarbamodithioic acid is CNC(=S)S.N.
What is the InChIKey of azane;methylcarbamodithioic acid?
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 azane;methylcarbamodithioic acid?
azane;methylcarbamodithioic acid has a molecular weight of 124.23 g/mol, XLogP of 0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methylcarbamodithioic acid is sourced from PubChem (CID 14221609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).