2-(1-chloroethyl)thiomorpholine;hydrochloride

C6H13Cl2NS — CID 135259605

IUPAC2-(1-chloroethyl)thiomorpholine;hydrochloride
SMILESCC(Cl)C1CNCCS1.Cl
InChIInChI=1S/C6H12ClNS.ClH/c1-5(7)6-4-8-2-3-9-6;/h5-6,8H,2-4H2,1H3;1H
InChIKeyFNYVRZDEFYLALZ-UHFFFAOYSA-N
MW202.15 g/mol
LogP1.74
Rot. Bonds1

About 2-(1-chloroethyl)thiomorpholine;hydrochloride

2-(1-chloroethyl)thiomorpholine;hydrochloride (PubChem CID 135259605) has the molecular formula C6H13Cl2NS and a molecular weight of 202.15 g/mol. Its IUPAC name is 2-(1-chloroethyl)thiomorpholine;hydrochloride.

Molecular Properties

Compound Name2-(1-chloroethyl)thiomorpholine;hydrochloride
PubChem CID135259605
Molecular FormulaC6H13Cl2NS
Molecular Weight202.15 g/mol
Exact Mass201.01
IUPAC Name2-(1-chloroethyl)thiomorpholine;hydrochloride
SMILESCC(Cl)C1CNCCS1.Cl
InChIInChI=1S/C6H12ClNS.ClH/c1-5(7)6-4-8-2-3-9-6;/h5-6,8H,2-4H2,1H3;1H
InChIKeyFNYVRZDEFYLALZ-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 51.74
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;hydrochloride?
The IUPAC name of 2-(1-chloroethyl)thiomorpholine;hydrochloride (CID 135259605) is 2-(1-chloroethyl)thiomorpholine;hydrochloride.
What is the SMILES notation for 2-(1-chloroethyl)thiomorpholine;hydrochloride?
The canonical SMILES for 2-(1-chloroethyl)thiomorpholine;hydrochloride is CC(Cl)C1CNCCS1.Cl.
What is the InChIKey of 2-(1-chloroethyl)thiomorpholine;hydrochloride?
The InChIKey is FNYVRZDEFYLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNS.ClH/c1-5(7)6-4-8-2-3-9-6;/h5-6,8H,2-4H2,1H3;1H.
What are the key properties of 2-(1-chloroethyl)thiomorpholine;hydrochloride?
2-(1-chloroethyl)thiomorpholine;hydrochloride has a molecular weight of 202.15 g/mol, XLogP of 1.74, 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;hydrochloride is sourced from PubChem (CID 135259605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).