2-ethylsulfanylethanamine;hydron;chloride

C4H12ClNS — CID 19069271

IUPAC2-ethylsulfanylethanamine;hydron;chloride
SMILESCCSCCN.[Cl-].[H+]
InChIInChI=1S/C4H11NS.ClH/c1-2-6-4-3-5;/h2-5H2,1H3;1H
InChIKeyAZQOTRRSHMSXFJ-UHFFFAOYSA-N
MW141.67 g/mol
LogP-2.19
Rot. Bonds3

About 2-ethylsulfanylethanamine;hydron;chloride

2-ethylsulfanylethanamine;hydron;chloride (PubChem CID 19069271) has the molecular formula C4H12ClNS and a molecular weight of 141.67 g/mol. Its IUPAC name is 2-ethylsulfanylethanamine;hydron;chloride.

Molecular Properties

Compound Name2-ethylsulfanylethanamine;hydron;chloride
PubChem CID19069271
Molecular FormulaC4H12ClNS
Molecular Weight141.67 g/mol
Exact Mass141.04
IUPAC Name2-ethylsulfanylethanamine;hydron;chloride
SMILESCCSCCN.[Cl-].[H+]
InChIInChI=1S/C4H11NS.ClH/c1-2-6-4-3-5;/h2-5H2,1H3;1H
InChIKeyAZQOTRRSHMSXFJ-UHFFFAOYSA-N
XLogP-2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.67
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethanamine;hydron;chloride?
The IUPAC name of 2-ethylsulfanylethanamine;hydron;chloride (CID 19069271) is 2-ethylsulfanylethanamine;hydron;chloride.
What is the SMILES notation for 2-ethylsulfanylethanamine;hydron;chloride?
The canonical SMILES for 2-ethylsulfanylethanamine;hydron;chloride is CCSCCN.[Cl-].[H+].
What is the InChIKey of 2-ethylsulfanylethanamine;hydron;chloride?
The InChIKey is AZQOTRRSHMSXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.ClH/c1-2-6-4-3-5;/h2-5H2,1H3;1H.
What are the key properties of 2-ethylsulfanylethanamine;hydron;chloride?
2-ethylsulfanylethanamine;hydron;chloride has a molecular weight of 141.67 g/mol, XLogP of -2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethanamine;hydron;chloride is sourced from PubChem (CID 19069271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).