6-aminohexane-1-thiol;hydrochloride

C6H16ClNS — CID 22274759

IUPAC6-aminohexane-1-thiol;hydrochloride
SMILESCl.NCCCCCCS
InChIInChI=1S/C6H15NS.ClH/c7-5-3-1-2-4-6-8;/h8H,1-7H2;1H
InChIKeyBFCMUBZJTPADOD-UHFFFAOYSA-N
MW169.72 g/mol
LogP1.86
Rot. Bonds5

About 6-aminohexane-1-thiol;hydrochloride

6-aminohexane-1-thiol;hydrochloride (PubChem CID 22274759) has the molecular formula C6H16ClNS and a molecular weight of 169.72 g/mol. Its IUPAC name is 6-aminohexane-1-thiol;hydrochloride.

Molecular Properties

Compound Name6-aminohexane-1-thiol;hydrochloride
PubChem CID22274759
Molecular FormulaC6H16ClNS
Molecular Weight169.72 g/mol
Exact Mass169.07
IUPAC Name6-aminohexane-1-thiol;hydrochloride
SMILESCl.NCCCCCCS
InChIInChI=1S/C6H15NS.ClH/c7-5-3-1-2-4-6-8;/h8H,1-7H2;1H
InChIKeyBFCMUBZJTPADOD-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.72
LogP ≤ 51.86
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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Related Compounds

6-aminohexane-1-thiol
CID 12841471
33-aminotritriacontane-1-thiol
CID 87682293
bis(3-aminopropane-1-thiol);hydrate
CID 18625286
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
5-(3-aminopropylamino)pentane-1-thiol
CID 71726582
nonane-1,9-dithiol;silver
CID 87575502
octane-1,8-diamine;hydroiodide
CID 166637894
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786

Frequently Asked Questions

What is the IUPAC name of 6-aminohexane-1-thiol;hydrochloride?
The IUPAC name of 6-aminohexane-1-thiol;hydrochloride (CID 22274759) is 6-aminohexane-1-thiol;hydrochloride.
What is the SMILES notation for 6-aminohexane-1-thiol;hydrochloride?
The canonical SMILES for 6-aminohexane-1-thiol;hydrochloride is Cl.NCCCCCCS.
What is the InChIKey of 6-aminohexane-1-thiol;hydrochloride?
The InChIKey is BFCMUBZJTPADOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.ClH/c7-5-3-1-2-4-6-8;/h8H,1-7H2;1H.
What are the key properties of 6-aminohexane-1-thiol;hydrochloride?
6-aminohexane-1-thiol;hydrochloride has a molecular weight of 169.72 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexane-1-thiol;hydrochloride is sourced from PubChem (CID 22274759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).