2-(propylamino)ethanethiol;hydrochloride

C5H14ClNS — CID 520651

IUPAC2-(propylamino)ethanethiol;hydrochloride
SMILESCCCNCCS.Cl
InChIInChI=1S/C5H13NS.ClH/c1-2-3-6-4-5-7;/h6-7H,2-5H2,1H3;1H
InChIKeyKVFGLDRQYJGQOQ-UHFFFAOYSA-N
MW155.69 g/mol
LogP1.34
Rot. Bonds4

About 2-(propylamino)ethanethiol;hydrochloride

2-(propylamino)ethanethiol;hydrochloride (PubChem CID 520651) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is 2-(propylamino)ethanethiol;hydrochloride.

Molecular Properties

Compound Name2-(propylamino)ethanethiol;hydrochloride
PubChem CID520651
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name2-(propylamino)ethanethiol;hydrochloride
SMILESCCCNCCS.Cl
InChIInChI=1S/C5H13NS.ClH/c1-2-3-6-4-5-7;/h6-7H,2-5H2,1H3;1H
InChIKeyKVFGLDRQYJGQOQ-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 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 ≤ 51.34
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 2-(propylamino)ethanethiol;hydrochloride?
The IUPAC name of 2-(propylamino)ethanethiol;hydrochloride (CID 520651) is 2-(propylamino)ethanethiol;hydrochloride.
What is the SMILES notation for 2-(propylamino)ethanethiol;hydrochloride?
The canonical SMILES for 2-(propylamino)ethanethiol;hydrochloride is CCCNCCS.Cl.
What is the InChIKey of 2-(propylamino)ethanethiol;hydrochloride?
The InChIKey is KVFGLDRQYJGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c1-2-3-6-4-5-7;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 2-(propylamino)ethanethiol;hydrochloride?
2-(propylamino)ethanethiol;hydrochloride has a molecular weight of 155.69 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)ethanethiol;hydrochloride is sourced from PubChem (CID 520651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).