2-(1-bromoethyl)-3-methyl-1,3-thiazolidine

C6H12BrNS — CID 142789507

IUPAC2-(1-bromoethyl)-3-methyl-1,3-thiazolidine
SMILESCC(Br)C1SCCN1C
InChIInChI=1S/C6H12BrNS/c1-5(7)6-8(2)3-4-9-6/h5-6H,3-4H2,1-2H3
InChIKeyVPXWYQKVEPHNJW-UHFFFAOYSA-N
MW210.14 g/mol
LogP1.77
Rot. Bonds1

About 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine

2-(1-bromoethyl)-3-methyl-1,3-thiazolidine (PubChem CID 142789507) has the molecular formula C6H12BrNS and a molecular weight of 210.14 g/mol. Its IUPAC name is 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(1-bromoethyl)-3-methyl-1,3-thiazolidine
PubChem CID142789507
Molecular FormulaC6H12BrNS
Molecular Weight210.14 g/mol
Exact Mass208.99
IUPAC Name2-(1-bromoethyl)-3-methyl-1,3-thiazolidine
SMILESCC(Br)C1SCCN1C
InChIInChI=1S/C6H12BrNS/c1-5(7)6-8(2)3-4-9-6/h5-6H,3-4H2,1-2H3
InChIKeyVPXWYQKVEPHNJW-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 51.77
H-Bond Donors ≤ 50
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-bromoethyl)-3-methyl-1,3-thiazolidine?
The IUPAC name of 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine (CID 142789507) is 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine is CC(Br)C1SCCN1C.
What is the InChIKey of 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine?
The InChIKey is VPXWYQKVEPHNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNS/c1-5(7)6-8(2)3-4-9-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine?
2-(1-bromoethyl)-3-methyl-1,3-thiazolidine has a molecular weight of 210.14 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-3-methyl-1,3-thiazolidine is sourced from PubChem (CID 142789507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).