N-Hydroxythiourea

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Basic information

CAS: 42008-54-8
Standard SMILES: NC(=S)NO
InChIKey: QFUVRXBMUCPEMV-UHFFFAOYSA-N
Molecular formula: CH4N2OS
Average molar mass: 92.12 g/mol
Monoisotopic mass: 92.00443393

Overview

structure

Names & identifiers

Preferred name: N-Hydroxythiourea
IUPAC: hydroxythiourea

Names & synonyms

N-HydroxythioureahydroxythioureaThiourea, hydroxy-42008-54-8O21FQ912EMNSC-243044DTXSID20194814RefChem:163574DTXCID60117305hydroxy thioureaNSC243044NSC 243044

Show more names

Clarithromycin Impurity 3UNII-O21FQ912EMSCHEMBL689772SCHEMBL1037190SCHEMBL4925590CHEMBL3274945SCHEMBL16712317SCHEMBL17368382

Database identifiers

CAS: 42008-54-8
PubChem CID: 3034616
DTXSID: DTXSID20194814
ChEMBL: CHEMBL3274945
UNII: O21FQ912EM
Nikkaji: J717.772K

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 90.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 44.9

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Compound notes

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