2-ethenoxyethylthiourea

C5H10N2OS — CID 14265028

IUPAC2-ethenoxyethylthiourea
SMILESC=COCCNC(N)=S
InChIInChI=1S/C5H10N2OS/c1-2-8-4-3-7-5(6)9/h2H,1,3-4H2,(H3,6,7,9)
InChIKeyPIWYHCQFPVMWJP-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.02
Rot. Bonds4

About 2-ethenoxyethylthiourea

2-ethenoxyethylthiourea (PubChem CID 14265028) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is 2-ethenoxyethylthiourea.

Molecular Properties

Compound Name2-ethenoxyethylthiourea
PubChem CID14265028
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name2-ethenoxyethylthiourea
SMILESC=COCCNC(N)=S
InChIInChI=1S/C5H10N2OS/c1-2-8-4-3-7-5(6)9/h2H,1,3-4H2,(H3,6,7,9)
InChIKeyPIWYHCQFPVMWJP-UHFFFAOYSA-N
XLogP-0.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.02
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 2-ethenoxyethylthiourea?
The IUPAC name of 2-ethenoxyethylthiourea (CID 14265028) is 2-ethenoxyethylthiourea.
What is the SMILES notation for 2-ethenoxyethylthiourea?
The canonical SMILES for 2-ethenoxyethylthiourea is C=COCCNC(N)=S.
What is the InChIKey of 2-ethenoxyethylthiourea?
The InChIKey is PIWYHCQFPVMWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-2-8-4-3-7-5(6)9/h2H,1,3-4H2,(H3,6,7,9).
What are the key properties of 2-ethenoxyethylthiourea?
2-ethenoxyethylthiourea has a molecular weight of 146.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethylthiourea is sourced from PubChem (CID 14265028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).