dimethyl-[methylamino(methylsulfanyl)methylidene]azanium

C5H13N2S+ — CID 19388266

IUPACdimethyl-[methylamino(methylsulfanyl)methylidene]azanium
SMILESCNC(SC)=[N+](C)C
InChIInChI=1S/C5H12N2S/c1-6-5(8-4)7(2)3/h1-4H3/p+1
InChIKeyCQROVVJXIYLISJ-UHFFFAOYSA-O
MW133.24 g/mol
LogP0.20
Rot. Bonds

About dimethyl-[methylamino(methylsulfanyl)methylidene]azanium

dimethyl-[methylamino(methylsulfanyl)methylidene]azanium (PubChem CID 19388266) has the molecular formula C5H13N2S+ and a molecular weight of 133.24 g/mol. Its IUPAC name is dimethyl-[methylamino(methylsulfanyl)methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[methylamino(methylsulfanyl)methylidene]azanium
PubChem CID19388266
Molecular FormulaC5H13N2S+
Molecular Weight133.24 g/mol
Exact Mass133.08
IUPAC Namedimethyl-[methylamino(methylsulfanyl)methylidene]azanium
SMILESCNC(SC)=[N+](C)C
InChIInChI=1S/C5H12N2S/c1-6-5(8-4)7(2)3/h1-4H3/p+1
InChIKeyCQROVVJXIYLISJ-UHFFFAOYSA-O
XLogP0.20
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium?
The IUPAC name of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium (CID 19388266) is dimethyl-[methylamino(methylsulfanyl)methylidene]azanium.
What is the SMILES notation for dimethyl-[methylamino(methylsulfanyl)methylidene]azanium?
The canonical SMILES for dimethyl-[methylamino(methylsulfanyl)methylidene]azanium is CNC(SC)=[N+](C)C.
What is the InChIKey of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium?
The InChIKey is CQROVVJXIYLISJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2S/c1-6-5(8-4)7(2)3/h1-4H3/p+1.
What are the key properties of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium?
dimethyl-[methylamino(methylsulfanyl)methylidene]azanium has a molecular weight of 133.24 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[methylamino(methylsulfanyl)methylidene]azanium is sourced from PubChem (CID 19388266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).