1-benzyl-3-cyclohexylthiourea

C14H20N2S — CID 693948

IUPAC1-benzyl-3-cyclohexylthiourea
SMILESS=C(NCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C14H20N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17)
InChIKeyWUJPBZFYSNBQRH-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.98
Rot. Bonds3

About 1-benzyl-3-cyclohexylthiourea

1-benzyl-3-cyclohexylthiourea (PubChem CID 693948) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-benzyl-3-cyclohexylthiourea
PubChem CID693948
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-benzyl-3-cyclohexylthiourea
SMILESS=C(NCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C14H20N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17)
InChIKeyWUJPBZFYSNBQRH-UHFFFAOYSA-N
XLogP2.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.98
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-benzyl-3-cyclohexylthiourea?
The IUPAC name of 1-benzyl-3-cyclohexylthiourea (CID 693948) is 1-benzyl-3-cyclohexylthiourea.
What is the SMILES notation for 1-benzyl-3-cyclohexylthiourea?
The canonical SMILES for 1-benzyl-3-cyclohexylthiourea is S=C(NCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-benzyl-3-cyclohexylthiourea?
The InChIKey is WUJPBZFYSNBQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17).
What are the key properties of 1-benzyl-3-cyclohexylthiourea?
1-benzyl-3-cyclohexylthiourea has a molecular weight of 248.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexylthiourea is sourced from PubChem (CID 693948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).