2-amino-3-methylsulfinylpropane-1-thiol

C4H11NOS2 — CID 15159721

IUPAC2-amino-3-methylsulfinylpropane-1-thiol
SMILESCS(=O)CC(N)CS
InChIInChI=1S/C4H11NOS2/c1-8(6)3-4(5)2-7/h4,7H,2-3,5H2,1H3
InChIKeyAWRDHCOTJGLBTD-UHFFFAOYSA-N
MW153.27 g/mol
LogP-0.38
Rot. Bonds3

About 2-amino-3-methylsulfinylpropane-1-thiol

2-amino-3-methylsulfinylpropane-1-thiol (PubChem CID 15159721) has the molecular formula C4H11NOS2 and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-amino-3-methylsulfinylpropane-1-thiol.

Molecular Properties

Compound Name2-amino-3-methylsulfinylpropane-1-thiol
PubChem CID15159721
Molecular FormulaC4H11NOS2
Molecular Weight153.27 g/mol
Exact Mass153.03
IUPAC Name2-amino-3-methylsulfinylpropane-1-thiol
SMILESCS(=O)CC(N)CS
InChIInChI=1S/C4H11NOS2/c1-8(6)3-4(5)2-7/h4,7H,2-3,5H2,1H3
InChIKeyAWRDHCOTJGLBTD-UHFFFAOYSA-N
XLogP-0.38
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-3-methylsulfinylpropane-1-thiol?
The IUPAC name of 2-amino-3-methylsulfinylpropane-1-thiol (CID 15159721) is 2-amino-3-methylsulfinylpropane-1-thiol.
What is the SMILES notation for 2-amino-3-methylsulfinylpropane-1-thiol?
The canonical SMILES for 2-amino-3-methylsulfinylpropane-1-thiol is CS(=O)CC(N)CS.
What is the InChIKey of 2-amino-3-methylsulfinylpropane-1-thiol?
The InChIKey is AWRDHCOTJGLBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS2/c1-8(6)3-4(5)2-7/h4,7H,2-3,5H2,1H3.
What are the key properties of 2-amino-3-methylsulfinylpropane-1-thiol?
2-amino-3-methylsulfinylpropane-1-thiol has a molecular weight of 153.27 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylsulfinylpropane-1-thiol is sourced from PubChem (CID 15159721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).