2-sulfanyloxyethanol

C2H6O2S — CID 57204762

IUPAC2-sulfanyloxyethanol
SMILESOCCOS
InChIInChI=1S/C2H6O2S/c3-1-2-4-5/h3,5H,1-2H2
InChIKeyVEBBFSQWMFGLPB-UHFFFAOYSA-N
MW94.14 g/mol
LogP-0.16
Rot. Bonds2

About 2-sulfanyloxyethanol

2-sulfanyloxyethanol (PubChem CID 57204762) has the molecular formula C2H6O2S and a molecular weight of 94.14 g/mol. Its IUPAC name is 2-sulfanyloxyethanol.

Molecular Properties

Compound Name2-sulfanyloxyethanol
PubChem CID57204762
Molecular FormulaC2H6O2S
Molecular Weight94.14 g/mol
Exact Mass94.01
IUPAC Name2-sulfanyloxyethanol
SMILESOCCOS
InChIInChI=1S/C2H6O2S/c3-1-2-4-5/h3,5H,1-2H2
InChIKeyVEBBFSQWMFGLPB-UHFFFAOYSA-N
XLogP-0.16
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

Ethylene Glycol
CID 174
(1,1,2,2-2H4)Ethane-1,2-(2H2)diol
CID 2733139
Ethylene glycol-(OD)2
CID 10986148
1,2-Ethanediol, sodium salt (1:1)
CID 23678159
1,2-Ethanediol, lithium salt (1:1)
CID 23688918
1,2-Ethane-1,1,2,2-d4-diol
CID 2733137
(~13~C_2_)Ethane-1,2-diol
CID 16213434
Ethylene glycol water
CID 20437942
Ethylene glycol monosodium salt
CID 86592871
Hydroxyethyl hydroperoxide
CID 14819036
Hydrochloric acid ethylene glycol
CID 19991664
2-Hydroxyethyloxidanium
CID 23553108

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyloxyethanol?
The IUPAC name of 2-sulfanyloxyethanol (CID 57204762) is 2-sulfanyloxyethanol.
What is the SMILES notation for 2-sulfanyloxyethanol?
The canonical SMILES for 2-sulfanyloxyethanol is OCCOS.
What is the InChIKey of 2-sulfanyloxyethanol?
The InChIKey is VEBBFSQWMFGLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S/c3-1-2-4-5/h3,5H,1-2H2.
What are the key properties of 2-sulfanyloxyethanol?
2-sulfanyloxyethanol has a molecular weight of 94.14 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyloxyethanol is sourced from PubChem (CID 57204762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).