tridec-2-enylthiourea

C14H28N2S — CID 165175584

IUPACtridec-2-enylthiourea
SMILESCCCCCCCCCCC=CCNC(N)=S
InChIInChI=1S/C14H28N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14(15)17/h11-12H,2-10,13H2,1H3,(H3,15,16,17)
InChIKeyXQGXQSGQCQHGMA-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.91
Rot. Bonds11

About tridec-2-enylthiourea

tridec-2-enylthiourea (PubChem CID 165175584) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is tridec-2-enylthiourea.

Molecular Properties

Compound Nametridec-2-enylthiourea
PubChem CID165175584
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Nametridec-2-enylthiourea
SMILESCCCCCCCCCCC=CCNC(N)=S
InChIInChI=1S/C14H28N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14(15)17/h11-12H,2-10,13H2,1H3,(H3,15,16,17)
InChIKeyXQGXQSGQCQHGMA-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tridec-2-enylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Bis(octadec-9-enyl)thiourea
CID 53687605
Pent-2-enylthiourea
CID 53842268
Octadec-9-enylthiourea
CID 54013797
3-Ethylpent-2-enylthiourea
CID 87751961
[(E)-pent-2-enyl]thiourea
CID 88291614
1,3-bis[(Z)-octadec-9-enyl]thiourea
CID 88688770
[(Z)-octadec-9-enyl]thiourea
CID 88689246
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylthiourea
CID 88939449
1-(3,7-Dimethylocta-2,6-dienyl)-3-methylthiourea
CID 123622745
Hex-2-enylthiourea
CID 154101068
3-Octylundec-2-enylthiourea
CID 165175583
6-Methylhept-2-enylthiourea
CID 165175586

Frequently Asked Questions

What is the IUPAC name of tridec-2-enylthiourea?
The IUPAC name of tridec-2-enylthiourea (CID 165175584) is tridec-2-enylthiourea.
What is the SMILES notation for tridec-2-enylthiourea?
The canonical SMILES for tridec-2-enylthiourea is CCCCCCCCCCC=CCNC(N)=S.
What is the InChIKey of tridec-2-enylthiourea?
The InChIKey is XQGXQSGQCQHGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14(15)17/h11-12H,2-10,13H2,1H3,(H3,15,16,17).
What are the key properties of tridec-2-enylthiourea?
tridec-2-enylthiourea has a molecular weight of 256.46 g/mol, XLogP of 3.91, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-2-enylthiourea is sourced from PubChem (CID 165175584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).