1-decyl-3-prop-2-enylthiourea

C14H28N2S — CID 19651223

IUPAC1-decyl-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCCCCCCCCCC
InChIInChI=1S/C14H28N2S/c1-3-5-6-7-8-9-10-11-13-16-14(17)15-12-4-2/h4H,2-3,5-13H2,1H3,(H2,15,16,17)
InChIKeyUQSUMDRAJQZTCG-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.78
Rot. Bonds11

About 1-decyl-3-prop-2-enylthiourea

1-decyl-3-prop-2-enylthiourea (PubChem CID 19651223) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-decyl-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-decyl-3-prop-2-enylthiourea
PubChem CID19651223
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name1-decyl-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCCCCCCCCCC
InChIInChI=1S/C14H28N2S/c1-3-5-6-7-8-9-10-11-13-16-14(17)15-12-4-2/h4H,2-3,5-13H2,1H3,(H2,15,16,17)
InChIKeyUQSUMDRAJQZTCG-UHFFFAOYSA-N
XLogP3.78
TPSA24.06 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 ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-prop-2-enylthiourea?
The IUPAC name of 1-decyl-3-prop-2-enylthiourea (CID 19651223) is 1-decyl-3-prop-2-enylthiourea.
What is the SMILES notation for 1-decyl-3-prop-2-enylthiourea?
The canonical SMILES for 1-decyl-3-prop-2-enylthiourea is C=CCNC(=S)NCCCCCCCCCC.
What is the InChIKey of 1-decyl-3-prop-2-enylthiourea?
The InChIKey is UQSUMDRAJQZTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-5-6-7-8-9-10-11-13-16-14(17)15-12-4-2/h4H,2-3,5-13H2,1H3,(H2,15,16,17).
What are the key properties of 1-decyl-3-prop-2-enylthiourea?
1-decyl-3-prop-2-enylthiourea has a molecular weight of 256.46 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-prop-2-enylthiourea is sourced from PubChem (CID 19651223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).