2-(1-chloroethyl)thiomorpholine

C6H12ClNS — CID 135259606

IUPAC2-(1-chloroethyl)thiomorpholine
SMILESCC(Cl)C1CNCCS1
InChIInChI=1S/C6H12ClNS/c1-5(7)6-4-8-2-3-9-6/h5-6,8H,2-4H2,1H3
InChIKeyPRZGXMHNSOTJKZ-UHFFFAOYSA-N
MW165.69 g/mol
LogP1.32
Rot. Bonds1

About 2-(1-chloroethyl)thiomorpholine

2-(1-chloroethyl)thiomorpholine (PubChem CID 135259606) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is 2-(1-chloroethyl)thiomorpholine.

Molecular Properties

Compound Name2-(1-chloroethyl)thiomorpholine
PubChem CID135259606
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC Name2-(1-chloroethyl)thiomorpholine
SMILESCC(Cl)C1CNCCS1
InChIInChI=1S/C6H12ClNS/c1-5(7)6-4-8-2-3-9-6/h5-6,8H,2-4H2,1H3
InChIKeyPRZGXMHNSOTJKZ-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.69
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)thiomorpholine?
The IUPAC name of 2-(1-chloroethyl)thiomorpholine (CID 135259606) is 2-(1-chloroethyl)thiomorpholine.
What is the SMILES notation for 2-(1-chloroethyl)thiomorpholine?
The canonical SMILES for 2-(1-chloroethyl)thiomorpholine is CC(Cl)C1CNCCS1.
What is the InChIKey of 2-(1-chloroethyl)thiomorpholine?
The InChIKey is PRZGXMHNSOTJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNS/c1-5(7)6-4-8-2-3-9-6/h5-6,8H,2-4H2,1H3.
What are the key properties of 2-(1-chloroethyl)thiomorpholine?
2-(1-chloroethyl)thiomorpholine has a molecular weight of 165.69 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)thiomorpholine is sourced from PubChem (CID 135259606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).