methylamino methanedithioate

C2H5NS2 — CID 175347918

IUPACmethylamino methanedithioate
SMILESCNSC=S
InChIInChI=1S/C2H5NS2/c1-3-5-2-4/h2-3H,1H3
InChIKeyUCJSZUAVFKVYKZ-UHFFFAOYSA-N
MW107.20 g/mol
LogP0.81
Rot. Bonds2

About methylamino methanedithioate

methylamino methanedithioate (PubChem CID 175347918) has the molecular formula C2H5NS2 and a molecular weight of 107.20 g/mol. Its IUPAC name is methylamino methanedithioate.

Molecular Properties

Compound Namemethylamino methanedithioate
PubChem CID175347918
Molecular FormulaC2H5NS2
Molecular Weight107.20 g/mol
Exact Mass106.99
IUPAC Namemethylamino methanedithioate
SMILESCNSC=S
InChIInChI=1S/C2H5NS2/c1-3-5-2-4/h2-3H,1H3
InChIKeyUCJSZUAVFKVYKZ-UHFFFAOYSA-N
XLogP0.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.20
LogP ≤ 50.81
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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Related Compounds

(Z)-2-(methylaminosulfanyl)ethenamine
CID 118176376
methanethioyl chloride;N-methylmethanamine
CID 175343691
methylamino N-ethenylmethanimidothioate
CID 129192244
potassium;(2-formylhydrazinyl) methanedithioate;hydride
CID 175374360
N-[(Z)-3-methylpent-1-enyl]sulfanylmethanamine
CID 146290137
amino methanedithioate;zinc
CID 174337871
methylsulfanylmethyl methanedithioate
CID 102386197
N,3-dimethylbut-2-enethioamide
CID 15634520
N-methylmethanamine
CID 674
N-(113C)methyl(113C)methan(15N)amine
CID 71309073
ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
CID 142522589
2-(methylaminosulfanylamino)ethanol
CID 162390041

Frequently Asked Questions

What is the IUPAC name of methylamino methanedithioate?
The IUPAC name of methylamino methanedithioate (CID 175347918) is methylamino methanedithioate.
What is the SMILES notation for methylamino methanedithioate?
The canonical SMILES for methylamino methanedithioate is CNSC=S.
What is the InChIKey of methylamino methanedithioate?
The InChIKey is UCJSZUAVFKVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NS2/c1-3-5-2-4/h2-3H,1H3.
What are the key properties of methylamino methanedithioate?
methylamino methanedithioate has a molecular weight of 107.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino methanedithioate is sourced from PubChem (CID 175347918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).