ethane;N-methylthiohydroxylamine

C3H11NS — CID 173327497

IUPACethane;N-methylthiohydroxylamine
SMILESCC.CNS
InChIInChI=1S/C2H6.CH5NS/c1-2;1-2-3/h1-2H3;2-3H,1H3
InChIKeyRRXHRACKYLSTGB-UHFFFAOYSA-N
MW93.19 g/mol
LogP1.08
Rot. Bonds

About ethane;N-methylthiohydroxylamine

ethane;N-methylthiohydroxylamine (PubChem CID 173327497) has the molecular formula C3H11NS and a molecular weight of 93.19 g/mol. Its IUPAC name is ethane;N-methylthiohydroxylamine.

Molecular Properties

Compound Nameethane;N-methylthiohydroxylamine
PubChem CID173327497
Molecular FormulaC3H11NS
Molecular Weight93.19 g/mol
Exact Mass93.06
IUPAC Nameethane;N-methylthiohydroxylamine
SMILESCC.CNS
InChIInChI=1S/C2H6.CH5NS/c1-2;1-2-3/h1-2H3;2-3H,1H3
InChIKeyRRXHRACKYLSTGB-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylthiohydroxylamine?
The IUPAC name of ethane;N-methylthiohydroxylamine (CID 173327497) is ethane;N-methylthiohydroxylamine.
What is the SMILES notation for ethane;N-methylthiohydroxylamine?
The canonical SMILES for ethane;N-methylthiohydroxylamine is CC.CNS.
What is the InChIKey of ethane;N-methylthiohydroxylamine?
The InChIKey is RRXHRACKYLSTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH5NS/c1-2;1-2-3/h1-2H3;2-3H,1H3.
What are the key properties of ethane;N-methylthiohydroxylamine?
ethane;N-methylthiohydroxylamine has a molecular weight of 93.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylthiohydroxylamine is sourced from PubChem (CID 173327497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).