1-(2-ethenoxyethyl)-3-phenylthiourea

C11H14N2OS — CID 3067952

IUPAC1-(2-ethenoxyethyl)-3-phenylthiourea
SMILESC=COCCNC(=S)Nc1ccccc1
InChIInChI=1S/C11H14N2OS/c1-2-14-9-8-12-11(15)13-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,15)
InChIKeyDQNMYXFLSBXPAY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.13
Rot. Bonds5

About 1-(2-ethenoxyethyl)-3-phenylthiourea

1-(2-ethenoxyethyl)-3-phenylthiourea (PubChem CID 3067952) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-3-phenylthiourea
PubChem CID3067952
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(2-ethenoxyethyl)-3-phenylthiourea
SMILESC=COCCNC(=S)Nc1ccccc1
InChIInChI=1S/C11H14N2OS/c1-2-14-9-8-12-11(15)13-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,15)
InChIKeyDQNMYXFLSBXPAY-UHFFFAOYSA-N
XLogP2.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-3-phenylthiourea?
The IUPAC name of 1-(2-ethenoxyethyl)-3-phenylthiourea (CID 3067952) is 1-(2-ethenoxyethyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-ethenoxyethyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-ethenoxyethyl)-3-phenylthiourea is C=COCCNC(=S)Nc1ccccc1.
What is the InChIKey of 1-(2-ethenoxyethyl)-3-phenylthiourea?
The InChIKey is DQNMYXFLSBXPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-14-9-8-12-11(15)13-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,15).
What are the key properties of 1-(2-ethenoxyethyl)-3-phenylthiourea?
1-(2-ethenoxyethyl)-3-phenylthiourea has a molecular weight of 222.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-3-phenylthiourea is sourced from PubChem (CID 3067952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).