pentadec-2-enylthiourea

C16H32N2S — CID 165175587

IUPACpentadec-2-enylthiourea
SMILESCCCCCCCCCCCCC=CCNC(N)=S
InChIInChI=1S/C16H32N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(17)19/h13-14H,2-12,15H2,1H3,(H3,17,18,19)
InChIKeyCVUAHAWPWBZQBN-UHFFFAOYSA-N
MW284.51 g/mol
LogP4.69
Rot. Bonds13

About pentadec-2-enylthiourea

pentadec-2-enylthiourea (PubChem CID 165175587) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is pentadec-2-enylthiourea.

Molecular Properties

Compound Namepentadec-2-enylthiourea
PubChem CID165175587
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Namepentadec-2-enylthiourea
SMILESCCCCCCCCCCCCC=CCNC(N)=S
InChIInChI=1S/C16H32N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(17)19/h13-14H,2-12,15H2,1H3,(H3,17,18,19)
InChIKeyCVUAHAWPWBZQBN-UHFFFAOYSA-N
XLogP4.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 54.69
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[(2E)-3,7-dimethylocta-2,6-dienyl]thiourea
CID 102430047
1-Oct-7-enyl-3-octylthiourea
CID 23466616
1,3-Bis(octadec-9-enyl)thiourea
CID 53687605
Octadec-9-enylthiourea
CID 54013797
1,3-bis[(Z)-octadec-9-enyl]thiourea
CID 88688770
[(Z)-octadec-9-enyl]thiourea
CID 88689246
3-Octylundec-2-enylthiourea
CID 165175583
Tridec-2-enylthiourea
CID 165175584
Hept-2-enylthiourea
CID 165175594
Non-2-enylthiourea
CID 165175598
3-Hexylnon-2-enylthiourea
CID 165175599
Undec-2-enylthiourea
CID 165175602

Frequently Asked Questions

What is the IUPAC name of pentadec-2-enylthiourea?
The IUPAC name of pentadec-2-enylthiourea (CID 165175587) is pentadec-2-enylthiourea.
What is the SMILES notation for pentadec-2-enylthiourea?
The canonical SMILES for pentadec-2-enylthiourea is CCCCCCCCCCCCC=CCNC(N)=S.
What is the InChIKey of pentadec-2-enylthiourea?
The InChIKey is CVUAHAWPWBZQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(17)19/h13-14H,2-12,15H2,1H3,(H3,17,18,19).
What are the key properties of pentadec-2-enylthiourea?
pentadec-2-enylthiourea has a molecular weight of 284.51 g/mol, XLogP of 4.69, 13 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-2-enylthiourea is sourced from PubChem (CID 165175587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).