1-naphthalen-2-yl-3-phenylthiourea

C17H14N2S — CID 4201092

IUPAC1-naphthalen-2-yl-3-phenylthiourea
SMILESS=C(Nc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2S/c20-17(18-15-8-2-1-3-9-15)19-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,18,19,20)
InChIKeyIPJJRJZXOAMHLE-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.65
Rot. Bonds2

About 1-naphthalen-2-yl-3-phenylthiourea

1-naphthalen-2-yl-3-phenylthiourea (PubChem CID 4201092) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-phenylthiourea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-phenylthiourea
PubChem CID4201092
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name1-naphthalen-2-yl-3-phenylthiourea
SMILESS=C(Nc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2S/c20-17(18-15-8-2-1-3-9-15)19-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,18,19,20)
InChIKeyIPJJRJZXOAMHLE-UHFFFAOYSA-N
XLogP4.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.65
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 1-naphthalen-2-yl-3-phenylthiourea?
The IUPAC name of 1-naphthalen-2-yl-3-phenylthiourea (CID 4201092) is 1-naphthalen-2-yl-3-phenylthiourea.
What is the SMILES notation for 1-naphthalen-2-yl-3-phenylthiourea?
The canonical SMILES for 1-naphthalen-2-yl-3-phenylthiourea is S=C(Nc1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-phenylthiourea?
The InChIKey is IPJJRJZXOAMHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c20-17(18-15-8-2-1-3-9-15)19-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,18,19,20).
What are the key properties of 1-naphthalen-2-yl-3-phenylthiourea?
1-naphthalen-2-yl-3-phenylthiourea has a molecular weight of 278.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-phenylthiourea is sourced from PubChem (CID 4201092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).