dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride

C14H35F2N3S — CID 23315816

IUPACdimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride
SMILESCCCN(CCC)[S+](N(C)C)N(CCC)CCC.F.[F-]
InChIInChI=1S/C14H34N3S.2FH/c1-7-11-16(12-8-2)18(15(5)6)17(13-9-3)14-10-4;;/h7-14H2,1-6H3;2*1H/q+1;;/p-1
InChIKeyKSCUKZSLYYMCPJ-UHFFFAOYSA-M
MW315.52 g/mol
LogP0.31
Rot. Bonds11

About dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride

dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride (PubChem CID 23315816) has the molecular formula C14H35F2N3S and a molecular weight of 315.52 g/mol. Its IUPAC name is dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride.

Molecular Properties

Compound Namedimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride
PubChem CID23315816
Molecular FormulaC14H35F2N3S
Molecular Weight315.52 g/mol
Exact Mass315.25
IUPAC Namedimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride
SMILESCCCN(CCC)[S+](N(C)C)N(CCC)CCC.F.[F-]
InChIInChI=1S/C14H34N3S.2FH/c1-7-11-16(12-8-2)18(15(5)6)17(13-9-3)14-10-4;;/h7-14H2,1-6H3;2*1H/q+1;;/p-1
InChIKeyKSCUKZSLYYMCPJ-UHFFFAOYSA-M
XLogP0.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride?
The IUPAC name of dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride (CID 23315816) is dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride.
What is the SMILES notation for dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride?
The canonical SMILES for dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride is CCCN(CCC)[S+](N(C)C)N(CCC)CCC.F.[F-].
What is the InChIKey of dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride?
The InChIKey is KSCUKZSLYYMCPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H34N3S.2FH/c1-7-11-16(12-8-2)18(15(5)6)17(13-9-3)14-10-4;;/h7-14H2,1-6H3;2*1H/q+1;;/p-1.
What are the key properties of dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride?
dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride has a molecular weight of 315.52 g/mol, XLogP of 0.31, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-bis(dipropylamino)sulfanium;fluoride;hydrofluoride is sourced from PubChem (CID 23315816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).