naphthalen-2-ylthiourea

C11H10N2S — CID 2829258

IUPACnaphthalen-2-ylthiourea
SMILESNC(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C11H10N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14)
InChIKeyJCGVEGFEGJLZDW-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.50
Rot. Bonds1

About naphthalen-2-ylthiourea

naphthalen-2-ylthiourea (PubChem CID 2829258) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is naphthalen-2-ylthiourea.

Molecular Properties

Compound Namenaphthalen-2-ylthiourea
PubChem CID2829258
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Namenaphthalen-2-ylthiourea
SMILESNC(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C11H10N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14)
InChIKeyJCGVEGFEGJLZDW-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylthiourea?
The IUPAC name of naphthalen-2-ylthiourea (CID 2829258) is naphthalen-2-ylthiourea.
What is the SMILES notation for naphthalen-2-ylthiourea?
The canonical SMILES for naphthalen-2-ylthiourea is NC(=S)Nc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylthiourea?
The InChIKey is JCGVEGFEGJLZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14).
What are the key properties of naphthalen-2-ylthiourea?
naphthalen-2-ylthiourea has a molecular weight of 202.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylthiourea is sourced from PubChem (CID 2829258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).