8-tricyclo[5.2.1.02,6]dec-4-enylthiourea

C11H16N2S — CID 2803167

IUPAC8-tricyclo[5.2.1.02,6]dec-4-enylthiourea
SMILESNC(=S)NC1CC2CC1C1C=CCC21
InChIInChI=1S/C11H16N2S/c12-11(14)13-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H3,12,13,14)
InChIKeyDHWGVLNGJNHMLY-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.42
Rot. Bonds1

About 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea

8-tricyclo[5.2.1.02,6]dec-4-enylthiourea (PubChem CID 2803167) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]dec-4-enylthiourea
PubChem CID2803167
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name8-tricyclo[5.2.1.02,6]dec-4-enylthiourea
SMILESNC(=S)NC1CC2CC1C1C=CCC21
InChIInChI=1S/C11H16N2S/c12-11(14)13-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H3,12,13,14)
InChIKeyDHWGVLNGJNHMLY-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea?
The IUPAC name of 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea (CID 2803167) is 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea is NC(=S)NC1CC2CC1C1C=CCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea?
The InChIKey is DHWGVLNGJNHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-11(14)13-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H3,12,13,14).
What are the key properties of 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea?
8-tricyclo[5.2.1.02,6]dec-4-enylthiourea has a molecular weight of 208.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]dec-4-enylthiourea is sourced from PubChem (CID 2803167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).