3-[(2-Aminoethyl)thiomethyl]-5-chloro-1,2,4-thiadiazole

HCID 20567487
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Basic information

Standard SMILES
NCCSCc1nsc(Cl)n1
InChIKey
WCHPCZFGOHHRGH-UHFFFAOYSA-N
Molecular formula
C5H8ClN3S2
Average molar mass
209.7 g/mol
Monoisotopic mass
208.9848173

Names & identifiers

Preferred name
3-[(2-Aminoethyl)thiomethyl]-5-chloro-1,2,4-thiadiazole
IUPAC
2-[(5-chloro-1,2,4-thiadiazol-3-yl)methylsulfanyl]ethanamine

Names & synonyms

SCHEMBL11366153WCHPCZFGOHHRGH-UHFFFAOYSA-N3-[ (2-aminoethyl)thiomethyl]-5-chloro-1,2,4-thiadiazole3-[(2-aminoethyl)thiomethyl]-5-chloro-1,2,4-thiadiazole

Database identifiers

PubChem CID
20567487

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
11

Related reactions

10 records
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Compound notes

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