sulfanyloxyethane;hydrochloride

C2H7ClOS — CID 19906505

IUPACsulfanyloxyethane;hydrochloride
SMILESCCOS.Cl
InChIInChI=1S/C2H6OS.ClH/c1-2-3-4;/h4H,2H2,1H3;1H
InChIKeyGVPBUXZABKPVSX-UHFFFAOYSA-N
MW114.60 g/mol
LogP1.29
Rot. Bonds1

About sulfanyloxyethane;hydrochloride

sulfanyloxyethane;hydrochloride (PubChem CID 19906505) has the molecular formula C2H7ClOS and a molecular weight of 114.60 g/mol. Its IUPAC name is sulfanyloxyethane;hydrochloride.

Molecular Properties

Compound Namesulfanyloxyethane;hydrochloride
PubChem CID19906505
Molecular FormulaC2H7ClOS
Molecular Weight114.60 g/mol
Exact Mass113.99
IUPAC Namesulfanyloxyethane;hydrochloride
SMILESCCOS.Cl
InChIInChI=1S/C2H6OS.ClH/c1-2-3-4;/h4H,2H2,1H3;1H
InChIKeyGVPBUXZABKPVSX-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.60
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfanyloxyethane;hydrochloride?
The IUPAC name of sulfanyloxyethane;hydrochloride (CID 19906505) is sulfanyloxyethane;hydrochloride.
What is the SMILES notation for sulfanyloxyethane;hydrochloride?
The canonical SMILES for sulfanyloxyethane;hydrochloride is CCOS.Cl.
What is the InChIKey of sulfanyloxyethane;hydrochloride?
The InChIKey is GVPBUXZABKPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.ClH/c1-2-3-4;/h4H,2H2,1H3;1H.
What are the key properties of sulfanyloxyethane;hydrochloride?
sulfanyloxyethane;hydrochloride has a molecular weight of 114.60 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyloxyethane;hydrochloride is sourced from PubChem (CID 19906505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).