2-hydroxysulfanylethanamine;hydrochloride

C2H8ClNOS — CID 141473798

IUPAC2-hydroxysulfanylethanamine;hydrochloride
SMILESCl.NCCSO
InChIInChI=1S/C2H7NOS.ClH/c3-1-2-5-4;/h4H,1-3H2;1H
InChIKeyLWUFRWRYPYQSTG-UHFFFAOYSA-N
MW129.61 g/mol
LogP0.57
Rot. Bonds2

About 2-hydroxysulfanylethanamine;hydrochloride

2-hydroxysulfanylethanamine;hydrochloride (PubChem CID 141473798) has the molecular formula C2H8ClNOS and a molecular weight of 129.61 g/mol. Its IUPAC name is 2-hydroxysulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-hydroxysulfanylethanamine;hydrochloride
PubChem CID141473798
Molecular FormulaC2H8ClNOS
Molecular Weight129.61 g/mol
Exact Mass129.00
IUPAC Name2-hydroxysulfanylethanamine;hydrochloride
SMILESCl.NCCSO
InChIInChI=1S/C2H7NOS.ClH/c3-1-2-5-4;/h4H,1-3H2;1H
InChIKeyLWUFRWRYPYQSTG-UHFFFAOYSA-N
XLogP0.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.61
LogP ≤ 50.57
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

(2R)-2-amino-2-hydroxysulfanylethanethiol
CID 22801373
Cysteamine hydrochloride hydrate
CID 88349362
2-Fluoro-3-hydroxysulfanylpropan-1-amine
CID 143236222
Hypotaurine hydrochloride
CID 129717025
(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol
CID 22801375
2-(Trihydroxy-lambda4-sulfanyl)ethanamine
CID 23530470
2-Hydroxysulfanylethanamine
CID 55289599
3-Aminopropane-1-thiol hydrochloride hydrate
CID 56766344
2-Aminoethanethiol;hypochlorous acid
CID 87612919
3-hydroxysulfanyl-N-iodopropan-1-amine
CID 118028326
3-Hydroxysulfanylpropan-1-amine
CID 124083928
1-Aminoethanethiol;hydrate;hydrochloride
CID 140092808

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanylethanamine;hydrochloride?
The IUPAC name of 2-hydroxysulfanylethanamine;hydrochloride (CID 141473798) is 2-hydroxysulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-hydroxysulfanylethanamine;hydrochloride?
The canonical SMILES for 2-hydroxysulfanylethanamine;hydrochloride is Cl.NCCSO.
What is the InChIKey of 2-hydroxysulfanylethanamine;hydrochloride?
The InChIKey is LWUFRWRYPYQSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS.ClH/c3-1-2-5-4;/h4H,1-3H2;1H.
What are the key properties of 2-hydroxysulfanylethanamine;hydrochloride?
2-hydroxysulfanylethanamine;hydrochloride has a molecular weight of 129.61 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanylethanamine;hydrochloride is sourced from PubChem (CID 141473798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).