[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea

C9H10N4OS — CID 139074433

IUPAC[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea
SMILESNC(=S)N/N=C(\C=N\O)c1ccccc1
InChIInChI=1S/C9H10N4OS/c10-9(15)13-12-8(6-11-14)7-4-2-1-3-5-7/h1-6,14H,(H3,10,13,15)/b11-6+,12-8+
InChIKeyLXYMGOFPNPYDOG-DECBNBDHSA-N
MW222.27 g/mol
LogP0.68
Rot. Bonds3

About [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea

[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea (PubChem CID 139074433) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea
PubChem CID139074433
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea
SMILESNC(=S)N/N=C(\C=N\O)c1ccccc1
InChIInChI=1S/C9H10N4OS/c10-9(15)13-12-8(6-11-14)7-4-2-1-3-5-7/h1-6,14H,(H3,10,13,15)/b11-6+,12-8+
InChIKeyLXYMGOFPNPYDOG-DECBNBDHSA-N
XLogP0.68
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea?
The IUPAC name of [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea (CID 139074433) is [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea is NC(=S)N/N=C(\C=N\O)c1ccccc1.
What is the InChIKey of [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea?
The InChIKey is LXYMGOFPNPYDOG-DECBNBDHSA-N. The full InChI is InChI=1S/C9H10N4OS/c10-9(15)13-12-8(6-11-14)7-4-2-1-3-5-7/h1-6,14H,(H3,10,13,15)/b11-6+,12-8+.
What are the key properties of [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea?
[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea has a molecular weight of 222.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]thiourea is sourced from PubChem (CID 139074433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).