dimethyl-bis(sulfanyl)azanium;molecular hydrogen

C2H10NS2+ — CID 161422686

IUPACdimethyl-bis(sulfanyl)azanium;molecular hydrogen
SMILESC[N+](C)(S)S.[H][H]
InChIInChI=1S/C2H8NS2.H2/c1-3(2,4)5;/h4-5H,1-2H3;1H/q+1;
InChIKeyVWYFWZBWLUTIBE-UHFFFAOYSA-N
MW112.24 g/mol
LogP1.00
Rot. Bonds

About dimethyl-bis(sulfanyl)azanium;molecular hydrogen

dimethyl-bis(sulfanyl)azanium;molecular hydrogen (PubChem CID 161422686) has the molecular formula C2H10NS2+ and a molecular weight of 112.24 g/mol. Its IUPAC name is dimethyl-bis(sulfanyl)azanium;molecular hydrogen.

Molecular Properties

Compound Namedimethyl-bis(sulfanyl)azanium;molecular hydrogen
PubChem CID161422686
Molecular FormulaC2H10NS2+
Molecular Weight112.24 g/mol
Exact Mass112.02
IUPAC Namedimethyl-bis(sulfanyl)azanium;molecular hydrogen
SMILESC[N+](C)(S)S.[H][H]
InChIInChI=1S/C2H8NS2.H2/c1-3(2,4)5;/h4-5H,1-2H3;1H/q+1;
InChIKeyVWYFWZBWLUTIBE-UHFFFAOYSA-N
XLogP1.00
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(sulfanyl)azanium;molecular hydrogen?
The IUPAC name of dimethyl-bis(sulfanyl)azanium;molecular hydrogen (CID 161422686) is dimethyl-bis(sulfanyl)azanium;molecular hydrogen.
What is the SMILES notation for dimethyl-bis(sulfanyl)azanium;molecular hydrogen?
The canonical SMILES for dimethyl-bis(sulfanyl)azanium;molecular hydrogen is C[N+](C)(S)S.[H][H].
What is the InChIKey of dimethyl-bis(sulfanyl)azanium;molecular hydrogen?
The InChIKey is VWYFWZBWLUTIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NS2.H2/c1-3(2,4)5;/h4-5H,1-2H3;1H/q+1;.
What are the key properties of dimethyl-bis(sulfanyl)azanium;molecular hydrogen?
dimethyl-bis(sulfanyl)azanium;molecular hydrogen has a molecular weight of 112.24 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(sulfanyl)azanium;molecular hydrogen is sourced from PubChem (CID 161422686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).