2-(3-chloroprop-2-enylsulfanyl)ethanamine

Name: 2-(3-chloroprop-2-enylsulfanyl)ethanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₁₀ClNS — CID 74314460

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(3-chloroprop-2-enylsulfanyl)ethanamine

SMILESNCCSCC=CCl

InChIInChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2

InChIKeyFXGCEOSCKPBHFC-UHFFFAOYSA-N

MW151.66 g/mol

LogP1.43

Rot. Bonds4

About 2-(3-chloroprop-2-enylsulfanyl)ethanamine

2-(3-chloroprop-2-enylsulfanyl)ethanamine (PubChem CID 74314460) has the molecular formula C₅H₁₀ClNS and a molecular weight of 151.66 g/mol. Its IUPAC name is 2-(3-chloroprop-2-enylsulfanyl)ethanamine.

Molecular Properties

Compound Name	2-(3-chloroprop-2-enylsulfanyl)ethanamine
PubChem CID	74314460
Molecular Formula	C₅H₁₀ClNS
Molecular Weight	151.66 g/mol
Exact Mass	151.02
IUPAC Name	2-(3-chloroprop-2-enylsulfanyl)ethanamine
SMILES	NCCSCC=CCl
InChI	InChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2
InChIKey	FXGCEOSCKPBHFC-UHFFFAOYSA-N
XLogP	1.43
TPSA	26.02 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	8
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	151.66
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-2-enylsulfanyl)ethanamine?

The IUPAC name of 2-(3-chloroprop-2-enylsulfanyl)ethanamine (CID 74314460) is 2-(3-chloroprop-2-enylsulfanyl)ethanamine.

What is the SMILES notation for 2-(3-chloroprop-2-enylsulfanyl)ethanamine?

The canonical SMILES for 2-(3-chloroprop-2-enylsulfanyl)ethanamine is NCCSCC=CCl.

What is the InChIKey of 2-(3-chloroprop-2-enylsulfanyl)ethanamine?

The InChIKey is FXGCEOSCKPBHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2.

What are the key properties of 2-(3-chloroprop-2-enylsulfanyl)ethanamine?

2-(3-chloroprop-2-enylsulfanyl)ethanamine has a molecular weight of 151.66 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloroprop-2-enylsulfanyl)ethanamine is sourced from PubChem (CID 74314460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 74314460 — identifiers, structure, computed properties (public domain)

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