naphthalen-1-ylthiourea

C11H10N2S — CID 736366

IUPACnaphthalen-1-ylthiourea
SMILESNC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)
InChIKeyPIVQQUNOTICCSA-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.50
Rot. Bonds1

About naphthalen-1-ylthiourea

naphthalen-1-ylthiourea (PubChem CID 736366) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is naphthalen-1-ylthiourea.

Molecular Properties

Compound Namenaphthalen-1-ylthiourea
PubChem CID736366
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Namenaphthalen-1-ylthiourea
SMILESNC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)
InChIKeyPIVQQUNOTICCSA-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-1-ylthiourea?
The IUPAC name of naphthalen-1-ylthiourea (CID 736366) is naphthalen-1-ylthiourea.
What is the SMILES notation for naphthalen-1-ylthiourea?
The canonical SMILES for naphthalen-1-ylthiourea is NC(=S)Nc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylthiourea?
The InChIKey is PIVQQUNOTICCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14).
What are the key properties of naphthalen-1-ylthiourea?
naphthalen-1-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-1-ylthiourea is sourced from PubChem (CID 736366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).