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

C3H9NS — CID 18609630

IUPAC(2S)-2-aminopropane-1-thiol
SMILESC[C@H](N)CS
InChIInChI=1S/C3H9NS/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKeyDJJIBYYAHJOUMY-VKHMYHEASA-N
MW91.18 g/mol
LogP0.26
Rot. Bonds1

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

(2S)-2-aminopropane-1-thiol (PubChem CID 18609630) has the molecular formula C3H9NS and a molecular weight of 91.18 g/mol. Its IUPAC name is (2S)-2-aminopropane-1-thiol.

Molecular Properties

Compound Name(2S)-2-aminopropane-1-thiol
PubChem CID18609630
Molecular FormulaC3H9NS
Molecular Weight91.18 g/mol
Exact Mass91.05
IUPAC Name(2S)-2-aminopropane-1-thiol
SMILESC[C@H](N)CS
InChIInChI=1S/C3H9NS/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKeyDJJIBYYAHJOUMY-VKHMYHEASA-N
XLogP0.26
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.18
LogP ≤ 50.26
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?
The IUPAC name of (2S)-2-aminopropane-1-thiol (CID 18609630) is (2S)-2-aminopropane-1-thiol.
What is the SMILES notation for (2S)-2-aminopropane-1-thiol?
The canonical SMILES for (2S)-2-aminopropane-1-thiol is C[C@H](N)CS.
What is the InChIKey of (2S)-2-aminopropane-1-thiol?
The InChIKey is DJJIBYYAHJOUMY-VKHMYHEASA-N. The full InChI is InChI=1S/C3H9NS/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-2-aminopropane-1-thiol?
(2S)-2-aminopropane-1-thiol has a molecular weight of 91.18 g/mol, XLogP of 0.26, 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 is sourced from PubChem (CID 18609630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).