3-(2-methylprop-2-enyl)-1,1-dipropylthiourea

C11H22N2S — CID 15113020

IUPAC3-(2-methylprop-2-enyl)-1,1-dipropylthiourea
SMILESC=C(C)CNC(=S)N(CCC)CCC
InChIInChI=1S/C11H22N2S/c1-5-7-13(8-6-2)11(14)12-9-10(3)4/h3,5-9H2,1-2,4H3,(H,12,14)
InChIKeyWZPUQCNRPFQDJM-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.56
Rot. Bonds6

About 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea

3-(2-methylprop-2-enyl)-1,1-dipropylthiourea (PubChem CID 15113020) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-1,1-dipropylthiourea
PubChem CID15113020
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-(2-methylprop-2-enyl)-1,1-dipropylthiourea
SMILESC=C(C)CNC(=S)N(CCC)CCC
InChIInChI=1S/C11H22N2S/c1-5-7-13(8-6-2)11(14)12-9-10(3)4/h3,5-9H2,1-2,4H3,(H,12,14)
InChIKeyWZPUQCNRPFQDJM-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea?
The IUPAC name of 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea (CID 15113020) is 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea?
The canonical SMILES for 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea is C=C(C)CNC(=S)N(CCC)CCC.
What is the InChIKey of 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea?
The InChIKey is WZPUQCNRPFQDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-5-7-13(8-6-2)11(14)12-9-10(3)4/h3,5-9H2,1-2,4H3,(H,12,14).
What are the key properties of 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea?
3-(2-methylprop-2-enyl)-1,1-dipropylthiourea has a molecular weight of 214.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-1,1-dipropylthiourea is sourced from PubChem (CID 15113020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).