1-(4-Ethoxycarbonylphenyl)-4-methylthiosemicarbazide

HCID 20195378
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Basic information

Standard SMILES
CCOC(=O)c1ccc(NNC(=S)NC)cc1
InChIKey
GRRPVMWTYJLIKG-UHFFFAOYSA-N
Molecular formula
C11H15N3O2S
Average molar mass
253.32 g/mol
Monoisotopic mass
253.0884979

Names & identifiers

Preferred name
1-(4-Ethoxycarbonylphenyl)-4-methylthiosemicarbazide
IUPAC
ethyl 4-[2-(methylcarbamothioyl)hydrazinyl]benzoate

Names & synonyms

SCHEMBL10759919GRRPVMWTYJLIKG-UHFFFAOYSA-N1-(4-ethoxycarbonylphenyl)-4-methylthiosemicarbazide

Database identifiers

PubChem CID
20195378

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
94.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
17

Related reactions

1 records
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Compound notes

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