N-(methyldisulfanyl)methanimine

C2H5NS2 — CID 129268815

IUPACN-(methyldisulfanyl)methanimine
SMILESC=NSSC
InChIInChI=1S/C2H5NS2/c1-3-5-4-2/h1H2,2H3
InChIKeyJCKMKPXMHVTKJY-UHFFFAOYSA-N
MW107.20 g/mol
LogP1.61
Rot. Bonds2

About N-(methyldisulfanyl)methanimine

N-(methyldisulfanyl)methanimine (PubChem CID 129268815) has the molecular formula C2H5NS2 and a molecular weight of 107.20 g/mol. Its IUPAC name is N-(methyldisulfanyl)methanimine.

Molecular Properties

Compound NameN-(methyldisulfanyl)methanimine
PubChem CID129268815
Molecular FormulaC2H5NS2
Molecular Weight107.20 g/mol
Exact Mass106.99
IUPAC NameN-(methyldisulfanyl)methanimine
SMILESC=NSSC
InChIInChI=1S/C2H5NS2/c1-3-5-4-2/h1H2,2H3
InChIKeyJCKMKPXMHVTKJY-UHFFFAOYSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methyldisulfanyl)methanimine?
The IUPAC name of N-(methyldisulfanyl)methanimine (CID 129268815) is N-(methyldisulfanyl)methanimine.
What is the SMILES notation for N-(methyldisulfanyl)methanimine?
The canonical SMILES for N-(methyldisulfanyl)methanimine is C=NSSC.
What is the InChIKey of N-(methyldisulfanyl)methanimine?
The InChIKey is JCKMKPXMHVTKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NS2/c1-3-5-4-2/h1H2,2H3.
What are the key properties of N-(methyldisulfanyl)methanimine?
N-(methyldisulfanyl)methanimine has a molecular weight of 107.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyldisulfanyl)methanimine is sourced from PubChem (CID 129268815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).