[amino(methylsulfanyl)methyl]azanium

C2H9N2S+ — CID 85496892

IUPAC[amino(methylsulfanyl)methyl]azanium
SMILESCSC(N)[NH3+]
InChIInChI=1S/C2H8N2S/c1-5-2(3)4/h2H,3-4H2,1H3/p+1
InChIKeyBLTQJVLCINQAHX-UHFFFAOYSA-O
MW93.17 g/mol
LogP-1.17
Rot. Bonds1

About [amino(methylsulfanyl)methyl]azanium

[amino(methylsulfanyl)methyl]azanium (PubChem CID 85496892) has the molecular formula C2H9N2S+ and a molecular weight of 93.17 g/mol. Its IUPAC name is [amino(methylsulfanyl)methyl]azanium.

Molecular Properties

Compound Name[amino(methylsulfanyl)methyl]azanium
PubChem CID85496892
Molecular FormulaC2H9N2S+
Molecular Weight93.17 g/mol
Exact Mass93.05
IUPAC Name[amino(methylsulfanyl)methyl]azanium
SMILESCSC(N)[NH3+]
InChIInChI=1S/C2H8N2S/c1-5-2(3)4/h2H,3-4H2,1H3/p+1
InChIKeyBLTQJVLCINQAHX-UHFFFAOYSA-O
XLogP-1.17
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [amino(methylsulfanyl)methyl]azanium?
The IUPAC name of [amino(methylsulfanyl)methyl]azanium (CID 85496892) is [amino(methylsulfanyl)methyl]azanium.
What is the SMILES notation for [amino(methylsulfanyl)methyl]azanium?
The canonical SMILES for [amino(methylsulfanyl)methyl]azanium is CSC(N)[NH3+].
What is the InChIKey of [amino(methylsulfanyl)methyl]azanium?
The InChIKey is BLTQJVLCINQAHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H8N2S/c1-5-2(3)4/h2H,3-4H2,1H3/p+1.
What are the key properties of [amino(methylsulfanyl)methyl]azanium?
[amino(methylsulfanyl)methyl]azanium has a molecular weight of 93.17 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methylsulfanyl)methyl]azanium is sourced from PubChem (CID 85496892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).