2-hydroxysulfanylethanamine

C2H7NOS — CID 55289599

IUPAC2-hydroxysulfanylethanamine
SMILESNCCSO
InChIInChI=1S/C2H7NOS/c3-1-2-5-4/h4H,1-3H2
InChIKeyAJVQUUUSYDQOEP-UHFFFAOYSA-N
MW93.15 g/mol
LogP0.15
Rot. Bonds2

About 2-hydroxysulfanylethanamine

2-hydroxysulfanylethanamine (PubChem CID 55289599) has the molecular formula C2H7NOS and a molecular weight of 93.15 g/mol. Its IUPAC name is 2-hydroxysulfanylethanamine.

Molecular Properties

Compound Name2-hydroxysulfanylethanamine
PubChem CID55289599
Molecular FormulaC2H7NOS
Molecular Weight93.15 g/mol
Exact Mass93.02
IUPAC Name2-hydroxysulfanylethanamine
SMILESNCCSO
InChIInChI=1S/C2H7NOS/c3-1-2-5-4/h4H,1-3H2
InChIKeyAJVQUUUSYDQOEP-UHFFFAOYSA-N
XLogP0.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hypotaurine
CID 107812
(2R)-2-amino-2-hydroxysulfanylethanethiol
CID 22801373
3h-Taurine
CID 129664824
2-Fluoro-3-hydroxysulfanylpropan-1-amine
CID 143236222
(35s)Hypotaurine
CID 129716794
(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol
CID 22801375
2-(Trihydroxy-lambda4-sulfanyl)ethanamine
CID 23530470
2-(Trioxidanylsulfanyl)ethanamine
CID 59346053
3-hydroxysulfanyl-N-iodopropan-1-amine
CID 118028326
3-Hydroxysulfanylpropan-1-amine
CID 124083928
3-Hydroxysulfinothioylpropan-1-amine;hydrobromide
CID 141420693
2-Hydroxysulfanylethanamine;hydrochloride
CID 141473798

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanylethanamine?
The IUPAC name of 2-hydroxysulfanylethanamine (CID 55289599) is 2-hydroxysulfanylethanamine.
What is the SMILES notation for 2-hydroxysulfanylethanamine?
The canonical SMILES for 2-hydroxysulfanylethanamine is NCCSO.
What is the InChIKey of 2-hydroxysulfanylethanamine?
The InChIKey is AJVQUUUSYDQOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS/c3-1-2-5-4/h4H,1-3H2.
What are the key properties of 2-hydroxysulfanylethanamine?
2-hydroxysulfanylethanamine has a molecular weight of 93.15 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanylethanamine is sourced from PubChem (CID 55289599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).