1-amino-4-hydroxypentane-3-thione

C5H11NOS — CID 57298305

IUPAC1-amino-4-hydroxypentane-3-thione
SMILESCC(O)C(=S)CCN
InChIInChI=1S/C5H11NOS/c1-4(7)5(8)2-3-6/h4,7H,2-3,6H2,1H3
InChIKeyHZLBOPLVJYHOQC-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.09
Rot. Bonds3

About 1-amino-4-hydroxypentane-3-thione

1-amino-4-hydroxypentane-3-thione (PubChem CID 57298305) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-amino-4-hydroxypentane-3-thione.

Molecular Properties

Compound Name1-amino-4-hydroxypentane-3-thione
PubChem CID57298305
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1-amino-4-hydroxypentane-3-thione
SMILESCC(O)C(=S)CCN
InChIInChI=1S/C5H11NOS/c1-4(7)5(8)2-3-6/h4,7H,2-3,6H2,1H3
InChIKeyHZLBOPLVJYHOQC-UHFFFAOYSA-N
XLogP0.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-hydroxypentane-3-thione?
The IUPAC name of 1-amino-4-hydroxypentane-3-thione (CID 57298305) is 1-amino-4-hydroxypentane-3-thione.
What is the SMILES notation for 1-amino-4-hydroxypentane-3-thione?
The canonical SMILES for 1-amino-4-hydroxypentane-3-thione is CC(O)C(=S)CCN.
What is the InChIKey of 1-amino-4-hydroxypentane-3-thione?
The InChIKey is HZLBOPLVJYHOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-4(7)5(8)2-3-6/h4,7H,2-3,6H2,1H3.
What are the key properties of 1-amino-4-hydroxypentane-3-thione?
1-amino-4-hydroxypentane-3-thione has a molecular weight of 133.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-hydroxypentane-3-thione is sourced from PubChem (CID 57298305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).