amino N-ethylidenecarbamodithioate

C3H6N2S2 — CID 175022402

IUPACamino N-ethylidenecarbamodithioate
SMILESCC=NC(=S)SN
InChIInChI=1S/C3H6N2S2/c1-2-5-3(6)7-4/h2H,4H2,1H3
InChIKeyGQDIZBJTEQPFHW-UHFFFAOYSA-N
MW134.23 g/mol
LogP0.97
Rot. Bonds

About amino N-ethylidenecarbamodithioate

amino N-ethylidenecarbamodithioate (PubChem CID 175022402) has the molecular formula C3H6N2S2 and a molecular weight of 134.23 g/mol. Its IUPAC name is amino N-ethylidenecarbamodithioate.

Molecular Properties

Compound Nameamino N-ethylidenecarbamodithioate
PubChem CID175022402
Molecular FormulaC3H6N2S2
Molecular Weight134.23 g/mol
Exact Mass134.00
IUPAC Nameamino N-ethylidenecarbamodithioate
SMILESCC=NC(=S)SN
InChIInChI=1S/C3H6N2S2/c1-2-5-3(6)7-4/h2H,4H2,1H3
InChIKeyGQDIZBJTEQPFHW-UHFFFAOYSA-N
XLogP0.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino N-ethylidenecarbamodithioate?
The IUPAC name of amino N-ethylidenecarbamodithioate (CID 175022402) is amino N-ethylidenecarbamodithioate.
What is the SMILES notation for amino N-ethylidenecarbamodithioate?
The canonical SMILES for amino N-ethylidenecarbamodithioate is CC=NC(=S)SN.
What is the InChIKey of amino N-ethylidenecarbamodithioate?
The InChIKey is GQDIZBJTEQPFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2/c1-2-5-3(6)7-4/h2H,4H2,1H3.
What are the key properties of amino N-ethylidenecarbamodithioate?
amino N-ethylidenecarbamodithioate has a molecular weight of 134.23 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-ethylidenecarbamodithioate is sourced from PubChem (CID 175022402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).