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5-Chloro-3-methoxy-1,2,4-thiadiazole

HCID 14763519
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1nsc(Cl)n1
InChIKey
GYGNJEASCVSRLC-UHFFFAOYSA-N
Molecular formula
C3H3ClN2OS
Average molar mass
150.59 g/mol

Names & identifiers

Preferred name
5-Chloro-3-methoxy-1,2,4-thiadiazole
IUPAC
5-chloro-3-methoxy-1,2,4-thiadiazole

Names & synonyms

5-chloro-3-methoxy-1,2,4-thiadiazole41218-40-05-chloro-3-methoxy-[1,2,4]thiadiazolestarbld0045573SCHEMBL4205888GYGNJEASCVSRLC-UHFFFAOYSA-NDB-358894

Database identifiers

PubChem CID
14763519

Properties

Computed structural properties

XLogP
2
Topological polar surface area
63.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
83.7

Related reactions

6 records
New reaction record
HRID 679530 reaction equation
HRID 679530As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 992242 reaction equation
HRID 992242As reactantuspto-grants-2002_10
HRID 992243 reaction equation
HRID 992243As reactantuspto-grants-2002_10
HRID 1211387 reaction equation
HRID 1211387As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1275601 reaction equation
HRID 1275601As reactantuspto-grants-2000_12
HRID 1275602 reaction equation
HRID 1275602As reactantuspto-grants-2000_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes