1-amino-3-naphthalen-1-ylthiourea

C11H11N3S — CID 2760175

IUPAC1-amino-3-naphthalen-1-ylthiourea
SMILESNNC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C11H11N3S/c12-14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H2,13,14,15)
InChIKeyTZGQJLSTYZDCHA-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.00
Rot. Bonds1

About 1-amino-3-naphthalen-1-ylthiourea

1-amino-3-naphthalen-1-ylthiourea (PubChem CID 2760175) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 1-amino-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-amino-3-naphthalen-1-ylthiourea
PubChem CID2760175
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name1-amino-3-naphthalen-1-ylthiourea
SMILESNNC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C11H11N3S/c12-14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H2,13,14,15)
InChIKeyTZGQJLSTYZDCHA-UHFFFAOYSA-N
XLogP2.00
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ylthiourea?
The IUPAC name of 1-amino-3-naphthalen-1-ylthiourea (CID 2760175) is 1-amino-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-amino-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-amino-3-naphthalen-1-ylthiourea is NNC(=S)Nc1cccc2ccccc12.
What is the InChIKey of 1-amino-3-naphthalen-1-ylthiourea?
The InChIKey is TZGQJLSTYZDCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c12-14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H2,13,14,15).
What are the key properties of 1-amino-3-naphthalen-1-ylthiourea?
1-amino-3-naphthalen-1-ylthiourea has a molecular weight of 217.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 2760175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).