4-aminothiolan-3-ol;hydrochloride

C4H10ClNOS — CID 2865114

IUPAC4-aminothiolan-3-ol;hydrochloride
SMILESCl.NC1CSCC1O
InChIInChI=1S/C4H9NOS.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H
InChIKeyXYEGUFCZWYSGAI-UHFFFAOYSA-N
MW155.65 g/mol
LogP-0.16
Rot. Bonds

About 4-aminothiolan-3-ol;hydrochloride

4-aminothiolan-3-ol;hydrochloride (PubChem CID 2865114) has the molecular formula C4H10ClNOS and a molecular weight of 155.65 g/mol. Its IUPAC name is 4-aminothiolan-3-ol;hydrochloride.

Molecular Properties

Compound Name4-aminothiolan-3-ol;hydrochloride
PubChem CID2865114
Molecular FormulaC4H10ClNOS
Molecular Weight155.65 g/mol
Exact Mass155.02
IUPAC Name4-aminothiolan-3-ol;hydrochloride
SMILESCl.NC1CSCC1O
InChIInChI=1S/C4H9NOS.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H
InChIKeyXYEGUFCZWYSGAI-UHFFFAOYSA-N
XLogP-0.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.65
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminothiolan-3-ol;hydrochloride?
The IUPAC name of 4-aminothiolan-3-ol;hydrochloride (CID 2865114) is 4-aminothiolan-3-ol;hydrochloride.
What is the SMILES notation for 4-aminothiolan-3-ol;hydrochloride?
The canonical SMILES for 4-aminothiolan-3-ol;hydrochloride is Cl.NC1CSCC1O.
What is the InChIKey of 4-aminothiolan-3-ol;hydrochloride?
The InChIKey is XYEGUFCZWYSGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS.ClH/c5-3-1-7-2-4(3)6;/h3-4,6H,1-2,5H2;1H.
What are the key properties of 4-aminothiolan-3-ol;hydrochloride?
4-aminothiolan-3-ol;hydrochloride has a molecular weight of 155.65 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminothiolan-3-ol;hydrochloride is sourced from PubChem (CID 2865114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).