5-aminopentane-1-thiol;hydrochloride

C5H14ClNS — CID 22251205

IUPAC5-aminopentane-1-thiol;hydrochloride
SMILESCl.NCCCCCS
InChIInChI=1S/C5H13NS.ClH/c6-4-2-1-3-5-7;/h7H,1-6H2;1H
InChIKeyFGWADSPDFGXDHR-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.47
Rot. Bonds4

About 5-aminopentane-1-thiol;hydrochloride

5-aminopentane-1-thiol;hydrochloride (PubChem CID 22251205) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is 5-aminopentane-1-thiol;hydrochloride.

Molecular Properties

Compound Name5-aminopentane-1-thiol;hydrochloride
PubChem CID22251205
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name5-aminopentane-1-thiol;hydrochloride
SMILESCl.NCCCCCS
InChIInChI=1S/C5H13NS.ClH/c6-4-2-1-3-5-7;/h7H,1-6H2;1H
InChIKeyFGWADSPDFGXDHR-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminopentane-1-thiol;hydrochloride?
The IUPAC name of 5-aminopentane-1-thiol;hydrochloride (CID 22251205) is 5-aminopentane-1-thiol;hydrochloride.
What is the SMILES notation for 5-aminopentane-1-thiol;hydrochloride?
The canonical SMILES for 5-aminopentane-1-thiol;hydrochloride is Cl.NCCCCCS.
What is the InChIKey of 5-aminopentane-1-thiol;hydrochloride?
The InChIKey is FGWADSPDFGXDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c6-4-2-1-3-5-7;/h7H,1-6H2;1H.
What are the key properties of 5-aminopentane-1-thiol;hydrochloride?
5-aminopentane-1-thiol;hydrochloride has a molecular weight of 155.69 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentane-1-thiol;hydrochloride is sourced from PubChem (CID 22251205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).