3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea

C10H18N2OS — CID 2168458

IUPAC3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)NCCOC
InChIInChI=1S/C10H18N2OS/c1-4-7-12(8-5-2)10(14)11-6-9-13-3/h4-5H,1-2,6-9H2,3H3,(H,11,14)
InChIKeySPQHXXMKSVHASC-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.18
Rot. Bonds7

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

3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea (PubChem CID 2168458) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea
PubChem CID2168458
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea
SMILESC=CCN(CC=C)C(=S)NCCOC
InChIInChI=1S/C10H18N2OS/c1-4-7-12(8-5-2)10(14)11-6-9-13-3/h4-5H,1-2,6-9H2,3H3,(H,11,14)
InChIKeySPQHXXMKSVHASC-UHFFFAOYSA-N
XLogP1.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea?
The IUPAC name of 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea (CID 2168458) is 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea.
What is the SMILES notation for 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea?
The canonical SMILES for 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea is C=CCN(CC=C)C(=S)NCCOC.
What is the InChIKey of 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea?
The InChIKey is SPQHXXMKSVHASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-7-12(8-5-2)10(14)11-6-9-13-3/h4-5H,1-2,6-9H2,3H3,(H,11,14).
What are the key properties of 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea?
3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea has a molecular weight of 214.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)thiourea is sourced from PubChem (CID 2168458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).