(2S)-2-aminopropane-1-thiol;hydrochloride

C3H10ClNS — CID 91666839

IUPAC(2S)-2-aminopropane-1-thiol;hydrochloride
SMILESC[C@H](N)CS.Cl
InChIInChI=1S/C3H9NS.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H/t3-;/m0./s1
InChIKeyLGDQCFHYSGLOKP-DFWYDOINSA-N
MW127.64 g/mol
LogP0.69
Rot. Bonds1

About (2S)-2-aminopropane-1-thiol;hydrochloride

(2S)-2-aminopropane-1-thiol;hydrochloride (PubChem CID 91666839) has the molecular formula C3H10ClNS and a molecular weight of 127.64 g/mol. Its IUPAC name is (2S)-2-aminopropane-1-thiol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminopropane-1-thiol;hydrochloride
PubChem CID91666839
Molecular FormulaC3H10ClNS
Molecular Weight127.64 g/mol
Exact Mass127.02
IUPAC Name(2S)-2-aminopropane-1-thiol;hydrochloride
SMILESC[C@H](N)CS.Cl
InChIInChI=1S/C3H9NS.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H/t3-;/m0./s1
InChIKeyLGDQCFHYSGLOKP-DFWYDOINSA-N
XLogP0.69
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.64
LogP ≤ 50.69
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 (2S)-2-aminopropane-1-thiol;hydrochloride?
The IUPAC name of (2S)-2-aminopropane-1-thiol;hydrochloride (CID 91666839) is (2S)-2-aminopropane-1-thiol;hydrochloride.
What is the SMILES notation for (2S)-2-aminopropane-1-thiol;hydrochloride?
The canonical SMILES for (2S)-2-aminopropane-1-thiol;hydrochloride is C[C@H](N)CS.Cl.
What is the InChIKey of (2S)-2-aminopropane-1-thiol;hydrochloride?
The InChIKey is LGDQCFHYSGLOKP-DFWYDOINSA-N. The full InChI is InChI=1S/C3H9NS.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopropane-1-thiol;hydrochloride?
(2S)-2-aminopropane-1-thiol;hydrochloride has a molecular weight of 127.64 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropane-1-thiol;hydrochloride is sourced from PubChem (CID 91666839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).