dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate

C5H13F6N2PS — CID 175384774

IUPACdimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate
SMILESCNC(SC)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C5H12N2S.F6P/c1-6-5(8-4)7(2)3;1-7(2,3,4,5)6/h1-4H3;/q;-1/p+1
InChIKeyOLOQRROULNYVAM-UHFFFAOYSA-O
MW278.20 g/mol
LogP3.58
Rot. Bonds

About dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate

dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate (PubChem CID 175384774) has the molecular formula C5H13F6N2PS and a molecular weight of 278.20 g/mol. Its IUPAC name is dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate.

Molecular Properties

Compound Namedimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate
PubChem CID175384774
Molecular FormulaC5H13F6N2PS
Molecular Weight278.20 g/mol
Exact Mass278.04
IUPAC Namedimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate
SMILESCNC(SC)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C5H12N2S.F6P/c1-6-5(8-4)7(2)3;1-7(2,3,4,5)6/h1-4H3;/q;-1/p+1
InChIKeyOLOQRROULNYVAM-UHFFFAOYSA-O
XLogP3.58
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.58
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': 'phosphor', '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 hexafluorophosphate?
The IUPAC name of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate (CID 175384774) is dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate.
What is the SMILES notation for dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate?
The canonical SMILES for dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate is CNC(SC)=[N+](C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate?
The InChIKey is OLOQRROULNYVAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2S.F6P/c1-6-5(8-4)7(2)3;1-7(2,3,4,5)6/h1-4H3;/q;-1/p+1.
What are the key properties of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate?
dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate has a molecular weight of 278.20 g/mol, XLogP of 3.58, 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 hexafluorophosphate is sourced from PubChem (CID 175384774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).