3-(bromomethyl)-5-chloro-1,2,4-thiadiazole

C3H2BrClN2S — CID 46318481

IUPAC3-(bromomethyl)-5-chloro-1,2,4-thiadiazole
SMILESClc1nc(CBr)ns1
InChIInChI=1S/C3H2BrClN2S/c4-1-2-6-3(5)8-7-2/h1H2
InChIKeyHIDPMAWBGGZCRB-UHFFFAOYSA-N
MW213.49 g/mol
LogP2.09
Rot. Bonds1

About 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole

3-(bromomethyl)-5-chloro-1,2,4-thiadiazole (PubChem CID 46318481) has the molecular formula C3H2BrClN2S and a molecular weight of 213.49 g/mol. Its IUPAC name is 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-chloro-1,2,4-thiadiazole
PubChem CID46318481
Molecular FormulaC3H2BrClN2S
Molecular Weight213.49 g/mol
Exact Mass211.88
IUPAC Name3-(bromomethyl)-5-chloro-1,2,4-thiadiazole
SMILESClc1nc(CBr)ns1
InChIInChI=1S/C3H2BrClN2S/c4-1-2-6-3(5)8-7-2/h1H2
InChIKeyHIDPMAWBGGZCRB-UHFFFAOYSA-N
XLogP2.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-3-methyl-1,2,4-thiadiazole
CID 12919160
5-Chloro-3-methyl-1,2,4-thiadiazole
CID 12919159
5-Chloro-3-(fluoromethyl)-1,2,4-thiadiazole
CID 53762538
CID 59498014
CID 59498014
5-Chloro-3-(iodomethyl)-1,2,4-thiadiazole
CID 85557460
Methylidene-(3-methyl-1,2,4-thiadiazol-5-yl)-lambda3-bromane
CID 163823810
3-(3-Bromopropyl)-5-chloro-1,2,4-thiadiazole
CID 46318484
5-Bromo-3-(chloromethyl)-1,2,4-thiadiazole
CID 131523029
5-Bromo-3-(methyl-D3)-1,2,4-thiadiazole
CID 168476807
5-Bromo-3-(bromomethyl)-1,2,4-thiadiazole
CID 170916066

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole?
The IUPAC name of 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole (CID 46318481) is 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole.
What is the SMILES notation for 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole?
The canonical SMILES for 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole is Clc1nc(CBr)ns1.
What is the InChIKey of 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole?
The InChIKey is HIDPMAWBGGZCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrClN2S/c4-1-2-6-3(5)8-7-2/h1H2.
What are the key properties of 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole?
3-(bromomethyl)-5-chloro-1,2,4-thiadiazole has a molecular weight of 213.49 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-chloro-1,2,4-thiadiazole is sourced from PubChem (CID 46318481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).