2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine

C5H10ClNS — CID 24704936

IUPAC2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine
SMILESNCCSC/C=C/Cl
InChIInChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2/b2-1+
InChIKeyFXGCEOSCKPBHFC-OWOJBTEDSA-N
MW151.66 g/mol
LogP1.43
Rot. Bonds4

About 2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine

2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine (PubChem CID 24704936) has the molecular formula C5H10ClNS and a molecular weight of 151.66 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine
PubChem CID24704936
Molecular FormulaC5H10ClNS
Molecular Weight151.66 g/mol
Exact Mass151.02
IUPAC Name2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine
SMILESNCCSC/C=C/Cl
InChIInChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2/b2-1+
InChIKeyFXGCEOSCKPBHFC-OWOJBTEDSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.66
LogP ≤ 51.43
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-[(E)-3-chloroprop-2-enyl]sulfanylethanamine?
The IUPAC name of 2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine (CID 24704936) is 2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine.
What is the SMILES notation for 2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine?
The canonical SMILES for 2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine is NCCSC/C=C/Cl.
What is the InChIKey of 2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine?
The InChIKey is FXGCEOSCKPBHFC-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H10ClNS/c6-2-1-4-8-5-3-7/h1-2H,3-5,7H2/b2-1+.
What are the key properties of 2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine?
2-[(E)-3-chloroprop-2-enyl]sulfanylethanamine 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-[(E)-3-chloroprop-2-enyl]sulfanylethanamine is sourced from PubChem (CID 24704936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).