1-amino-3-naphthalen-1-yliminothiourea

C11H10N4S — CID 88755624

IUPAC1-amino-3-naphthalen-1-yliminothiourea
SMILESNNC(=S)/N=N/c1cccc2ccccc12
InChIInChI=1S/C11H10N4S/c12-13-11(16)15-14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,16)/b15-14+
InChIKeyOXGJBCVCNNLITR-CCEZHUSRSA-N
MW230.30 g/mol
LogP2.67
Rot. Bonds1

About 1-amino-3-naphthalen-1-yliminothiourea

1-amino-3-naphthalen-1-yliminothiourea (PubChem CID 88755624) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-amino-3-naphthalen-1-yliminothiourea.

Molecular Properties

Compound Name1-amino-3-naphthalen-1-yliminothiourea
PubChem CID88755624
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name1-amino-3-naphthalen-1-yliminothiourea
SMILESNNC(=S)/N=N/c1cccc2ccccc12
InChIInChI=1S/C11H10N4S/c12-13-11(16)15-14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,16)/b15-14+
InChIKeyOXGJBCVCNNLITR-CCEZHUSRSA-N
XLogP2.67
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-amino-3-naphthalen-1-yliminothiourea?
The IUPAC name of 1-amino-3-naphthalen-1-yliminothiourea (CID 88755624) is 1-amino-3-naphthalen-1-yliminothiourea.
What is the SMILES notation for 1-amino-3-naphthalen-1-yliminothiourea?
The canonical SMILES for 1-amino-3-naphthalen-1-yliminothiourea is NNC(=S)/N=N/c1cccc2ccccc12.
What is the InChIKey of 1-amino-3-naphthalen-1-yliminothiourea?
The InChIKey is OXGJBCVCNNLITR-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H10N4S/c12-13-11(16)15-14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,16)/b15-14+.
What are the key properties of 1-amino-3-naphthalen-1-yliminothiourea?
1-amino-3-naphthalen-1-yliminothiourea has a molecular weight of 230.30 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-naphthalen-1-yliminothiourea is sourced from PubChem (CID 88755624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).