4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine

C9H11Cl2NS2 — CID 2806072

IUPAC4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine
SMILESClc1cc(CN2CCSCC2)c(Cl)s1
InChIInChI=1S/C9H11Cl2NS2/c10-8-5-7(9(11)14-8)6-12-1-3-13-4-2-12/h5H,1-4,6H2
InChIKeyFEELUCMOTWATJL-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.60
Rot. Bonds2

About 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine

4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine (PubChem CID 2806072) has the molecular formula C9H11Cl2NS2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine
PubChem CID2806072
Molecular FormulaC9H11Cl2NS2
Molecular Weight268.23 g/mol
Exact Mass266.97
IUPAC Name4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine
SMILESClc1cc(CN2CCSCC2)c(Cl)s1
InChIInChI=1S/C9H11Cl2NS2/c10-8-5-7(9(11)14-8)6-12-1-3-13-4-2-12/h5H,1-4,6H2
InChIKeyFEELUCMOTWATJL-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine (CID 2806072) is 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine is Clc1cc(CN2CCSCC2)c(Cl)s1.
What is the InChIKey of 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine?
The InChIKey is FEELUCMOTWATJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NS2/c10-8-5-7(9(11)14-8)6-12-1-3-13-4-2-12/h5H,1-4,6H2.
What are the key properties of 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine?
4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine has a molecular weight of 268.23 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholine is sourced from PubChem (CID 2806072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).