amino methanedithioate

CH3NS2 — CID 57494344

IUPACamino methanedithioate
SMILESNSC=S
InChIInChI=1S/CH3NS2/c2-4-1-3/h1H,2H2
InChIKeyAVULLKYKKOICTR-UHFFFAOYSA-N
MW93.18 g/mol
LogP0.55
Rot. Bonds1

About amino methanedithioate

amino methanedithioate (PubChem CID 57494344) has the molecular formula CH3NS2 and a molecular weight of 93.18 g/mol. Its IUPAC name is amino methanedithioate.

Molecular Properties

Compound Nameamino methanedithioate
PubChem CID57494344
Molecular FormulaCH3NS2
Molecular Weight93.18 g/mol
Exact Mass92.97
IUPAC Nameamino methanedithioate
SMILESNSC=S
InChIInChI=1S/CH3NS2/c2-4-1-3/h1H,2H2
InChIKeyAVULLKYKKOICTR-UHFFFAOYSA-N
XLogP0.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methanedithioate?
The IUPAC name of amino methanedithioate (CID 57494344) is amino methanedithioate.
What is the SMILES notation for amino methanedithioate?
The canonical SMILES for amino methanedithioate is NSC=S.
What is the InChIKey of amino methanedithioate?
The InChIKey is AVULLKYKKOICTR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2/c2-4-1-3/h1H,2H2.
What are the key properties of amino methanedithioate?
amino methanedithioate has a molecular weight of 93.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino methanedithioate is sourced from PubChem (CID 57494344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).