2-(2-chloroethylsulfanyl)-N,N-diethylethanamine

C8H18ClNS — CID 15680720

IUPAC2-(2-chloroethylsulfanyl)-N,N-diethylethanamine
SMILESCCN(CC)CCSCCCl
InChIInChI=1S/C8H18ClNS/c1-3-10(4-2)6-8-11-7-5-9/h3-8H2,1-2H3
InChIKeyQPIHTJRLZNADND-UHFFFAOYSA-N
MW195.76 g/mol
LogP2.30
Rot. Bonds7

About 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine

2-(2-chloroethylsulfanyl)-N,N-diethylethanamine (PubChem CID 15680720) has the molecular formula C8H18ClNS and a molecular weight of 195.76 g/mol. Its IUPAC name is 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2-chloroethylsulfanyl)-N,N-diethylethanamine
PubChem CID15680720
Molecular FormulaC8H18ClNS
Molecular Weight195.76 g/mol
Exact Mass195.08
IUPAC Name2-(2-chloroethylsulfanyl)-N,N-diethylethanamine
SMILESCCN(CC)CCSCCCl
InChIInChI=1S/C8H18ClNS/c1-3-10(4-2)6-8-11-7-5-9/h3-8H2,1-2H3
InChIKeyQPIHTJRLZNADND-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.76
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine?
The IUPAC name of 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine (CID 15680720) is 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine?
The canonical SMILES for 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine is CCN(CC)CCSCCCl.
What is the InChIKey of 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine?
The InChIKey is QPIHTJRLZNADND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNS/c1-3-10(4-2)6-8-11-7-5-9/h3-8H2,1-2H3.
What are the key properties of 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine?
2-(2-chloroethylsulfanyl)-N,N-diethylethanamine has a molecular weight of 195.76 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfanyl)-N,N-diethylethanamine is sourced from PubChem (CID 15680720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).