2-(2-chloroethyl)thiomorpholine

C6H12ClNS — CID 23117903

IUPAC2-(2-chloroethyl)thiomorpholine
SMILESClCCC1CNCCS1
InChIInChI=1S/C6H12ClNS/c7-2-1-6-5-8-3-4-9-6/h6,8H,1-5H2
InChIKeyLCXNDEJJNQNDKB-UHFFFAOYSA-N
MW165.69 g/mol
LogP1.32
Rot. Bonds2

About 2-(2-chloroethyl)thiomorpholine

2-(2-chloroethyl)thiomorpholine (PubChem CID 23117903) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is 2-(2-chloroethyl)thiomorpholine.

Molecular Properties

Compound Name2-(2-chloroethyl)thiomorpholine
PubChem CID23117903
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC Name2-(2-chloroethyl)thiomorpholine
SMILESClCCC1CNCCS1
InChIInChI=1S/C6H12ClNS/c7-2-1-6-5-8-3-4-9-6/h6,8H,1-5H2
InChIKeyLCXNDEJJNQNDKB-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

2-ethylthiomorpholine
CID 21495166
2-hexylthiomorpholine;hydrochloride
CID 175272280
2-[(4-bromophenyl)methyl]thiomorpholine
CID 69179664
2-[(2-chlorophenoxy)methyl]thiomorpholine
CID 83488099
thiomorpholin-2-yl thiohypochlorite
CID 154410723
2-methylthiomorpholine
CID 14953857
2-[(3-fluorophenyl)methyl]thiomorpholine
CID 82284188
2-thiomorpholin-2-ylpropan-2-ol
CID 83618265
N-propan-2-ylthiomorpholin-2-amine
CID 173143997
N-heptan-4-ylthiomorpholin-2-amine
CID 173143895
2-(thiolan-2-yl)ethanamine;hydrochloride
CID 53423396
5-decyl-1,3-thiazolidine
CID 175294789

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)thiomorpholine?
The IUPAC name of 2-(2-chloroethyl)thiomorpholine (CID 23117903) is 2-(2-chloroethyl)thiomorpholine.
What is the SMILES notation for 2-(2-chloroethyl)thiomorpholine?
The canonical SMILES for 2-(2-chloroethyl)thiomorpholine is ClCCC1CNCCS1.
What is the InChIKey of 2-(2-chloroethyl)thiomorpholine?
The InChIKey is LCXNDEJJNQNDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNS/c7-2-1-6-5-8-3-4-9-6/h6,8H,1-5H2.
What are the key properties of 2-(2-chloroethyl)thiomorpholine?
2-(2-chloroethyl)thiomorpholine has a molecular weight of 165.69 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)thiomorpholine is sourced from PubChem (CID 23117903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).