[[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea

C14H14N4OS — CID 135448318

IUPAC[[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea
SMILESNC(=S)NN/C(=N\c1ccccc1)c1ccccc1O
InChIInChI=1S/C14H14N4OS/c15-14(20)18-17-13(11-8-4-5-9-12(11)19)16-10-6-2-1-3-7-10/h1-9,19H,(H,16,17)(H3,15,18,20)
InChIKeyBRSUGYXHNWZIBN-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.81
Rot. Bonds2

About [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea

[[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea (PubChem CID 135448318) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea.

Molecular Properties

Compound Name[[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea
PubChem CID135448318
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name[[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea
SMILESNC(=S)NN/C(=N\c1ccccc1)c1ccccc1O
InChIInChI=1S/C14H14N4OS/c15-14(20)18-17-13(11-8-4-5-9-12(11)19)16-10-6-2-1-3-7-10/h1-9,19H,(H,16,17)(H3,15,18,20)
InChIKeyBRSUGYXHNWZIBN-UHFFFAOYSA-N
XLogP1.81
TPSA82.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea?
The IUPAC name of [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea (CID 135448318) is [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea.
What is the SMILES notation for [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea?
The canonical SMILES for [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea is NC(=S)NN/C(=N\c1ccccc1)c1ccccc1O.
What is the InChIKey of [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea?
The InChIKey is BRSUGYXHNWZIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-14(20)18-17-13(11-8-4-5-9-12(11)19)16-10-6-2-1-3-7-10/h1-9,19H,(H,16,17)(H3,15,18,20).
What are the key properties of [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea?
[[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea has a molecular weight of 286.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[C-(2-hydroxyphenyl)-N-phenylcarbonimidoyl]amino]thiourea is sourced from PubChem (CID 135448318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).