methanamine;methylcarbamodithioic acid

C3H10N2S2 — CID 3037097

IUPACmethanamine;methylcarbamodithioic acid
SMILESCN.CNC(=S)S
InChIInChI=1S/C2H5NS2.CH5N/c1-3-2(4)5;1-2/h1H3,(H2,3,4,5);2H2,1H3
InChIKeyCLNJKWUFFSDNLL-UHFFFAOYSA-N
MW138.26 g/mol
LogP-0.00
Rot. Bonds

About methanamine;methylcarbamodithioic acid

methanamine;methylcarbamodithioic acid (PubChem CID 3037097) has the molecular formula C3H10N2S2 and a molecular weight of 138.26 g/mol. Its IUPAC name is methanamine;methylcarbamodithioic acid.

Molecular Properties

Compound Namemethanamine;methylcarbamodithioic acid
PubChem CID3037097
Molecular FormulaC3H10N2S2
Molecular Weight138.26 g/mol
Exact Mass138.03
IUPAC Namemethanamine;methylcarbamodithioic acid
SMILESCN.CNC(=S)S
InChIInChI=1S/C2H5NS2.CH5N/c1-3-2(4)5;1-2/h1H3,(H2,3,4,5);2H2,1H3
InChIKeyCLNJKWUFFSDNLL-UHFFFAOYSA-N
XLogP-0.00
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.26
LogP ≤ 5-0.00
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 methanamine;methylcarbamodithioic acid?
The IUPAC name of methanamine;methylcarbamodithioic acid (CID 3037097) is methanamine;methylcarbamodithioic acid.
What is the SMILES notation for methanamine;methylcarbamodithioic acid?
The canonical SMILES for methanamine;methylcarbamodithioic acid is CN.CNC(=S)S.
What is the InChIKey of methanamine;methylcarbamodithioic acid?
The InChIKey is CLNJKWUFFSDNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NS2.CH5N/c1-3-2(4)5;1-2/h1H3,(H2,3,4,5);2H2,1H3.
What are the key properties of methanamine;methylcarbamodithioic acid?
methanamine;methylcarbamodithioic acid has a molecular weight of 138.26 g/mol, XLogP of -0.00, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methylcarbamodithioic acid is sourced from PubChem (CID 3037097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).