undec-2-enylthiourea

C12H24N2S — CID 165175602

IUPACundec-2-enylthiourea
SMILESCCCCCCCCC=CCNC(N)=S
InChIInChI=1S/C12H24N2S/c1-2-3-4-5-6-7-8-9-10-11-14-12(13)15/h9-10H,2-8,11H2,1H3,(H3,13,14,15)
InChIKeyWUAKWCOMOYEGPA-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.13
Rot. Bonds9

About undec-2-enylthiourea

undec-2-enylthiourea (PubChem CID 165175602) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is undec-2-enylthiourea.

Molecular Properties

Compound Nameundec-2-enylthiourea
PubChem CID165175602
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Nameundec-2-enylthiourea
SMILESCCCCCCCCC=CCNC(N)=S
InChIInChI=1S/C12H24N2S/c1-2-3-4-5-6-7-8-9-10-11-14-12(13)15/h9-10H,2-8,11H2,1H3,(H3,13,14,15)
InChIKeyWUAKWCOMOYEGPA-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.13
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'}

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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
Tridec-2-enylthiourea
CID 165175584

Frequently Asked Questions

What is the IUPAC name of undec-2-enylthiourea?
The IUPAC name of undec-2-enylthiourea (CID 165175602) is undec-2-enylthiourea.
What is the SMILES notation for undec-2-enylthiourea?
The canonical SMILES for undec-2-enylthiourea is CCCCCCCCC=CCNC(N)=S.
What is the InChIKey of undec-2-enylthiourea?
The InChIKey is WUAKWCOMOYEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-3-4-5-6-7-8-9-10-11-14-12(13)15/h9-10H,2-8,11H2,1H3,(H3,13,14,15).
What are the key properties of undec-2-enylthiourea?
undec-2-enylthiourea has a molecular weight of 228.40 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-2-enylthiourea is sourced from PubChem (CID 165175602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).