(NZ)-N-methylsulfanyliminomethanesulfinamide

C2H6N2OS2 — CID 118283576

IUPAC(NZ)-N-methylsulfanyliminomethanesulfinamide
SMILESCS/N=N\S(C)=O
InChIInChI=1S/C2H6N2OS2/c1-6-3-4-7(2)5/h1-2H3/b4-3-
InChIKeyPVYLKLFIKFFRKP-ARJAWSKDSA-N
MW138.22 g/mol
LogP1.01
Rot. Bonds2

About (NZ)-N-methylsulfanyliminomethanesulfinamide

(NZ)-N-methylsulfanyliminomethanesulfinamide (PubChem CID 118283576) has the molecular formula C2H6N2OS2 and a molecular weight of 138.22 g/mol. Its IUPAC name is (NZ)-N-methylsulfanyliminomethanesulfinamide.

Molecular Properties

Compound Name(NZ)-N-methylsulfanyliminomethanesulfinamide
PubChem CID118283576
Molecular FormulaC2H6N2OS2
Molecular Weight138.22 g/mol
Exact Mass137.99
IUPAC Name(NZ)-N-methylsulfanyliminomethanesulfinamide
SMILESCS/N=N\S(C)=O
InChIInChI=1S/C2H6N2OS2/c1-6-3-4-7(2)5/h1-2H3/b4-3-
InChIKeyPVYLKLFIKFFRKP-ARJAWSKDSA-N
XLogP1.01
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 (NZ)-N-methylsulfanyliminomethanesulfinamide?
The IUPAC name of (NZ)-N-methylsulfanyliminomethanesulfinamide (CID 118283576) is (NZ)-N-methylsulfanyliminomethanesulfinamide.
What is the SMILES notation for (NZ)-N-methylsulfanyliminomethanesulfinamide?
The canonical SMILES for (NZ)-N-methylsulfanyliminomethanesulfinamide is CS/N=N\S(C)=O.
What is the InChIKey of (NZ)-N-methylsulfanyliminomethanesulfinamide?
The InChIKey is PVYLKLFIKFFRKP-ARJAWSKDSA-N. The full InChI is InChI=1S/C2H6N2OS2/c1-6-3-4-7(2)5/h1-2H3/b4-3-.
What are the key properties of (NZ)-N-methylsulfanyliminomethanesulfinamide?
(NZ)-N-methylsulfanyliminomethanesulfinamide has a molecular weight of 138.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-methylsulfanyliminomethanesulfinamide is sourced from PubChem (CID 118283576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).