dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium

C7H14NS2+ — CID 21163229

IUPACdithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium
SMILESC=C(C)C[N+](C)(C)C(=S)S
InChIInChI=1S/C7H13NS2/c1-6(2)5-8(3,4)7(9)10/h1,5H2,2-4H3/p+1
InChIKeyJJYACZZFXZEYLQ-UHFFFAOYSA-O
MW176.33 g/mol
LogP1.85
Rot. Bonds2

About dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium

dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium (PubChem CID 21163229) has the molecular formula C7H14NS2+ and a molecular weight of 176.33 g/mol. Its IUPAC name is dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium.

Molecular Properties

Compound Namedithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium
PubChem CID21163229
Molecular FormulaC7H14NS2+
Molecular Weight176.33 g/mol
Exact Mass176.06
IUPAC Namedithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium
SMILESC=C(C)C[N+](C)(C)C(=S)S
InChIInChI=1S/C7H13NS2/c1-6(2)5-8(3,4)7(9)10/h1,5H2,2-4H3/p+1
InChIKeyJJYACZZFXZEYLQ-UHFFFAOYSA-O
XLogP1.85
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium?
The IUPAC name of dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium (CID 21163229) is dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium.
What is the SMILES notation for dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium?
The canonical SMILES for dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium is C=C(C)C[N+](C)(C)C(=S)S.
What is the InChIKey of dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium?
The InChIKey is JJYACZZFXZEYLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NS2/c1-6(2)5-8(3,4)7(9)10/h1,5H2,2-4H3/p+1.
What are the key properties of dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium?
dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium has a molecular weight of 176.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dithiocarboxy-dimethyl-(2-methylprop-2-enyl)azanium is sourced from PubChem (CID 21163229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).