dimethylcarbamodithioic acid;methylcarbamodithioic acid

C5H12N2S4 — CID 157251964

IUPACdimethylcarbamodithioic acid;methylcarbamodithioic acid
SMILESCN(C)C(=S)S.CNC(=S)S
InChIInChI=1S/C3H7NS2.C2H5NS2/c1-4(2)3(5)6;1-3-2(4)5/h1-2H3,(H,5,6);1H3,(H2,3,4,5)
InChIKeyAWLGODYAPINKPS-UHFFFAOYSA-N
MW228.43 g/mol
LogP1.18
Rot. Bonds

About dimethylcarbamodithioic acid;methylcarbamodithioic acid

dimethylcarbamodithioic acid;methylcarbamodithioic acid (PubChem CID 157251964) has the molecular formula C5H12N2S4 and a molecular weight of 228.43 g/mol. Its IUPAC name is dimethylcarbamodithioic acid;methylcarbamodithioic acid.

Molecular Properties

Compound Namedimethylcarbamodithioic acid;methylcarbamodithioic acid
PubChem CID157251964
Molecular FormulaC5H12N2S4
Molecular Weight228.43 g/mol
Exact Mass227.99
IUPAC Namedimethylcarbamodithioic acid;methylcarbamodithioic acid
SMILESCN(C)C(=S)S.CNC(=S)S
InChIInChI=1S/C3H7NS2.C2H5NS2/c1-4(2)3(5)6;1-3-2(4)5/h1-2H3,(H,5,6);1H3,(H2,3,4,5)
InChIKeyAWLGODYAPINKPS-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.43
LogP ≤ 51.18
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 dimethylcarbamodithioic acid;methylcarbamodithioic acid?
The IUPAC name of dimethylcarbamodithioic acid;methylcarbamodithioic acid (CID 157251964) is dimethylcarbamodithioic acid;methylcarbamodithioic acid.
What is the SMILES notation for dimethylcarbamodithioic acid;methylcarbamodithioic acid?
The canonical SMILES for dimethylcarbamodithioic acid;methylcarbamodithioic acid is CN(C)C(=S)S.CNC(=S)S.
What is the InChIKey of dimethylcarbamodithioic acid;methylcarbamodithioic acid?
The InChIKey is AWLGODYAPINKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.C2H5NS2/c1-4(2)3(5)6;1-3-2(4)5/h1-2H3,(H,5,6);1H3,(H2,3,4,5).
What are the key properties of dimethylcarbamodithioic acid;methylcarbamodithioic acid?
dimethylcarbamodithioic acid;methylcarbamodithioic acid has a molecular weight of 228.43 g/mol, XLogP of 1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamodithioic acid;methylcarbamodithioic acid is sourced from PubChem (CID 157251964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).