1-(Cycloheptylideneamino)-3-(2-methoxyethyl)thiourea

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Basic information

CAS: 453512-48-6
Standard SMILES: COCCNC(=S)NN=C1CCCCCC1
InChIKey: HUNRLTPXXMDYGU-UHFFFAOYSA-N
Molecular formula: C11H21N3OS
Average molar mass: 243.37 g/mol
Monoisotopic mass: 243.14053348

Names & identifiers

Preferred name: 1-(Cycloheptylideneamino)-3-(2-methoxyethyl)thiourea
IUPAC: 1-(cycloheptylideneamino)-3-(2-methoxyethyl)thiourea

Names & synonyms

1-(cycloheptylideneamino)-3-(2-methoxyethyl)thioureaMLS001004957SMR000348558CHEMBL1545633BDBM33891cid_4175604DTXSID701326424HMS2690D24AKOS034360903453512-48-6Z449104612-Cycloheptylidene-N-(2-methoxyethyl)hydrazine-1-carbothioamide

Database identifiers

CAS: 453512-48-6
PubChem CID: 4175604
DTXSID: DTXSID701326424
ChEMBL: CHEMBL1545633

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 77.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 233

Experimental & physicochemical properties

Solubility33.9 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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