3-aminothiolan-2-one;hydron;chloride

C4H8ClNOS — CID 68528267

IUPAC3-aminothiolan-2-one;hydron;chloride
SMILESNC1CCSC1=O.[Cl-].[H+]
InChIInChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H
InChIKeyZSEGSUBKDDEALH-UHFFFAOYSA-N
MW153.63 g/mol
LogP-2.91
Rot. Bonds

About 3-aminothiolan-2-one;hydron;chloride

3-aminothiolan-2-one;hydron;chloride (PubChem CID 68528267) has the molecular formula C4H8ClNOS and a molecular weight of 153.63 g/mol. Its IUPAC name is 3-aminothiolan-2-one;hydron;chloride.

Molecular Properties

Compound Name3-aminothiolan-2-one;hydron;chloride
PubChem CID68528267
Molecular FormulaC4H8ClNOS
Molecular Weight153.63 g/mol
Exact Mass153.00
IUPAC Name3-aminothiolan-2-one;hydron;chloride
SMILESNC1CCSC1=O.[Cl-].[H+]
InChIInChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H
InChIKeyZSEGSUBKDDEALH-UHFFFAOYSA-N
XLogP-2.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 5-2.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminothiolan-2-one;hydron;chloride?
The IUPAC name of 3-aminothiolan-2-one;hydron;chloride (CID 68528267) is 3-aminothiolan-2-one;hydron;chloride.
What is the SMILES notation for 3-aminothiolan-2-one;hydron;chloride?
The canonical SMILES for 3-aminothiolan-2-one;hydron;chloride is NC1CCSC1=O.[Cl-].[H+].
What is the InChIKey of 3-aminothiolan-2-one;hydron;chloride?
The InChIKey is ZSEGSUBKDDEALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H.
What are the key properties of 3-aminothiolan-2-one;hydron;chloride?
3-aminothiolan-2-one;hydron;chloride has a molecular weight of 153.63 g/mol, XLogP of -2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothiolan-2-one;hydron;chloride is sourced from PubChem (CID 68528267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).