dichloro(oxido)sulfanium;methanediimine

CH2Cl2N2OS — CID 174831171

IUPACdichloro(oxido)sulfanium;methanediimine
SMILESN=C=N.[O-][S+](Cl)Cl
InChIInChI=1S/CH2N2.Cl2OS/c2-1-3;1-4(2)3/h2-3H;
InChIKeyLXCIQDXPPOJKDZ-UHFFFAOYSA-N
MW161.01 g/mol
LogP1.36
Rot. Bonds

About dichloro(oxido)sulfanium;methanediimine

dichloro(oxido)sulfanium;methanediimine (PubChem CID 174831171) has the molecular formula CH2Cl2N2OS and a molecular weight of 161.01 g/mol. Its IUPAC name is dichloro(oxido)sulfanium;methanediimine.

Molecular Properties

Compound Namedichloro(oxido)sulfanium;methanediimine
PubChem CID174831171
Molecular FormulaCH2Cl2N2OS
Molecular Weight161.01 g/mol
Exact Mass159.93
IUPAC Namedichloro(oxido)sulfanium;methanediimine
SMILESN=C=N.[O-][S+](Cl)Cl
InChIInChI=1S/CH2N2.Cl2OS/c2-1-3;1-4(2)3/h2-3H;
InChIKeyLXCIQDXPPOJKDZ-UHFFFAOYSA-N
XLogP1.36
TPSA70.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.01
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro(oxido)sulfanium;methanediimine?
The IUPAC name of dichloro(oxido)sulfanium;methanediimine (CID 174831171) is dichloro(oxido)sulfanium;methanediimine.
What is the SMILES notation for dichloro(oxido)sulfanium;methanediimine?
The canonical SMILES for dichloro(oxido)sulfanium;methanediimine is N=C=N.[O-][S+](Cl)Cl.
What is the InChIKey of dichloro(oxido)sulfanium;methanediimine?
The InChIKey is LXCIQDXPPOJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2.Cl2OS/c2-1-3;1-4(2)3/h2-3H;.
What are the key properties of dichloro(oxido)sulfanium;methanediimine?
dichloro(oxido)sulfanium;methanediimine has a molecular weight of 161.01 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(oxido)sulfanium;methanediimine is sourced from PubChem (CID 174831171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).