phenylthiourea

C7H8N2S — CID 676454

IUPACphenylthiourea
SMILESNC(=S)Nc1ccccc1
InChIInChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyFULZLIGZKMKICU-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.34
Rot. Bonds1

About phenylthiourea

phenylthiourea (PubChem CID 676454) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is phenylthiourea.

Molecular Properties

Compound Namephenylthiourea
PubChem CID676454
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Namephenylthiourea
SMILESNC(=S)Nc1ccccc1
InChIInChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyFULZLIGZKMKICU-UHFFFAOYSA-N
XLogP1.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.34
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 phenylthiourea?
The IUPAC name of phenylthiourea (CID 676454) is phenylthiourea.
What is the SMILES notation for phenylthiourea?
The canonical SMILES for phenylthiourea is NC(=S)Nc1ccccc1.
What is the InChIKey of phenylthiourea?
The InChIKey is FULZLIGZKMKICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10).
What are the key properties of phenylthiourea?
phenylthiourea has a molecular weight of 152.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylthiourea is sourced from PubChem (CID 676454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).