non-2-enylthiourea

C10H20N2S — CID 165175598

IUPACnon-2-enylthiourea
SMILESCCCCCCC=CCNC(N)=S
InChIInChI=1S/C10H20N2S/c1-2-3-4-5-6-7-8-9-12-10(11)13/h7-8H,2-6,9H2,1H3,(H3,11,12,13)
InChIKeyXHKYHOPDYUYFIO-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.35
Rot. Bonds7

About non-2-enylthiourea

non-2-enylthiourea (PubChem CID 165175598) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is non-2-enylthiourea.

Molecular Properties

Compound Namenon-2-enylthiourea
PubChem CID165175598
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Namenon-2-enylthiourea
SMILESCCCCCCC=CCNC(N)=S
InChIInChI=1S/C10H20N2S/c1-2-3-4-5-6-7-8-9-12-10(11)13/h7-8H,2-6,9H2,1H3,(H3,11,12,13)
InChIKeyXHKYHOPDYUYFIO-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.35
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 non-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

Pent-2-enylthiourea
CID 53842268
Octadec-9-enylthiourea
CID 54013797
3-Ethylpent-2-enylthiourea
CID 87751961
[(E)-hept-5-en-2-yl]thiourea
CID 87993449
[(E)-pent-2-enyl]thiourea
CID 88291614
[(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
Hept-5-en-2-ylthiourea
CID 154076217
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 non-2-enylthiourea?
The IUPAC name of non-2-enylthiourea (CID 165175598) is non-2-enylthiourea.
What is the SMILES notation for non-2-enylthiourea?
The canonical SMILES for non-2-enylthiourea is CCCCCCC=CCNC(N)=S.
What is the InChIKey of non-2-enylthiourea?
The InChIKey is XHKYHOPDYUYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-3-4-5-6-7-8-9-12-10(11)13/h7-8H,2-6,9H2,1H3,(H3,11,12,13).
What are the key properties of non-2-enylthiourea?
non-2-enylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-enylthiourea is sourced from PubChem (CID 165175598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).