bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride

C12H34F2N4S2 — CID 173208577

IUPACbis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride
SMILESCCN(CC)SN(C)C.CCN(CC)SN(C)C.F.F
InChIInChI=1S/2C6H16N2S.2FH/c2*1-5-8(6-2)9-7(3)4;;/h2*5-6H2,1-4H3;2*1H
InChIKeyXEUKBNLYQSMSHP-UHFFFAOYSA-N
MW336.56 g/mol
LogP3.21
Rot. Bonds8

About bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride

bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride (PubChem CID 173208577) has the molecular formula C12H34F2N4S2 and a molecular weight of 336.56 g/mol. Its IUPAC name is bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride.

Molecular Properties

Compound Namebis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride
PubChem CID173208577
Molecular FormulaC12H34F2N4S2
Molecular Weight336.56 g/mol
Exact Mass336.22
IUPAC Namebis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride
SMILESCCN(CC)SN(C)C.CCN(CC)SN(C)C.F.F
InChIInChI=1S/2C6H16N2S.2FH/c2*1-5-8(6-2)9-7(3)4;;/h2*5-6H2,1-4H3;2*1H
InChIKeyXEUKBNLYQSMSHP-UHFFFAOYSA-N
XLogP3.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-N-methylsulfanylethanamine
CID 143371235
N-(disulfanyl)-N-ethylethanamine
CID 129302032
butane;N-(diethylaminodisulfanyl)-N-ethylethanamine;hydrochloride
CID 21146152
N-(chloromethylsulfanyl)-N-ethylethanamine
CID 12607780
bis(N,N-dimethylethanamine);methane
CID 160872665
azane;N,N-dimethylethanamine
CID 91593223
N,N-dimethylethanamine;hydroiodide
CID 173048873
N,N-dimethylethanamine;methane
CID 159924855
1-(diethylaminosulfanyl)ethanethiol
CID 130247026
N,N-diethylethanamine;ethene
CID 90857968
N,N-dimethylethanamine;N,N-dimethylmethanamine;ethane
CID 142201174
CID 163902323
CID 163902323

Frequently Asked Questions

What is the IUPAC name of bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride?
The IUPAC name of bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride (CID 173208577) is bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride.
What is the SMILES notation for bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride?
The canonical SMILES for bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride is CCN(CC)SN(C)C.CCN(CC)SN(C)C.F.F.
What is the InChIKey of bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride?
The InChIKey is XEUKBNLYQSMSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16N2S.2FH/c2*1-5-8(6-2)9-7(3)4;;/h2*5-6H2,1-4H3;2*1H.
What are the key properties of bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride?
bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride has a molecular weight of 336.56 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(dimethylaminosulfanyl)-N-ethylethanamine);dihydrofluoride is sourced from PubChem (CID 173208577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).