tert-butylsulfanylmethyl(dimethyl)azanium

C7H18NS+ — CID 156676227

IUPACtert-butylsulfanylmethyl(dimethyl)azanium
SMILESC[NH+](C)CSC(C)(C)C
InChIInChI=1S/C7H17NS/c1-7(2,3)9-6-8(4)5/h6H2,1-5H3/p+1
InChIKeyZNUWZUCWPRGGIB-UHFFFAOYSA-O
MW148.29 g/mol
LogP0.62
Rot. Bonds2

About tert-butylsulfanylmethyl(dimethyl)azanium

tert-butylsulfanylmethyl(dimethyl)azanium (PubChem CID 156676227) has the molecular formula C7H18NS+ and a molecular weight of 148.29 g/mol. Its IUPAC name is tert-butylsulfanylmethyl(dimethyl)azanium.

Molecular Properties

Compound Nametert-butylsulfanylmethyl(dimethyl)azanium
PubChem CID156676227
Molecular FormulaC7H18NS+
Molecular Weight148.29 g/mol
Exact Mass148.12
IUPAC Nametert-butylsulfanylmethyl(dimethyl)azanium
SMILESC[NH+](C)CSC(C)(C)C
InChIInChI=1S/C7H17NS/c1-7(2,3)9-6-8(4)5/h6H2,1-5H3/p+1
InChIKeyZNUWZUCWPRGGIB-UHFFFAOYSA-O
XLogP0.62
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanylmethyl(dimethyl)azanium?
The IUPAC name of tert-butylsulfanylmethyl(dimethyl)azanium (CID 156676227) is tert-butylsulfanylmethyl(dimethyl)azanium.
What is the SMILES notation for tert-butylsulfanylmethyl(dimethyl)azanium?
The canonical SMILES for tert-butylsulfanylmethyl(dimethyl)azanium is C[NH+](C)CSC(C)(C)C.
What is the InChIKey of tert-butylsulfanylmethyl(dimethyl)azanium?
The InChIKey is ZNUWZUCWPRGGIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17NS/c1-7(2,3)9-6-8(4)5/h6H2,1-5H3/p+1.
What are the key properties of tert-butylsulfanylmethyl(dimethyl)azanium?
tert-butylsulfanylmethyl(dimethyl)azanium has a molecular weight of 148.29 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanylmethyl(dimethyl)azanium is sourced from PubChem (CID 156676227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).