3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea

C15H20N2O2S — CID 971728

IUPAC3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O2S/c1-5-9-17(10-6-2)15(20)16-12-7-8-13(18-3)14(11-12)19-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,20)
InChIKeyLUKVYQPTFPPDHO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.07
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea

3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea (PubChem CID 971728) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea
PubChem CID971728
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O2S/c1-5-9-17(10-6-2)15(20)16-12-7-8-13(18-3)14(11-12)19-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,20)
InChIKeyLUKVYQPTFPPDHO-UHFFFAOYSA-N
XLogP3.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea (CID 971728) is 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea is C=CCN(CC=C)C(=S)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea?
The InChIKey is LUKVYQPTFPPDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-5-9-17(10-6-2)15(20)16-12-7-8-13(18-3)14(11-12)19-4/h5-8,11H,1-2,9-10H2,3-4H3,(H,16,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea?
3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea has a molecular weight of 292.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1,1-bis(prop-2-enyl)thiourea is sourced from PubChem (CID 971728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).