1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea

C8H16N2O2S — CID 3641995

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCCOCCO
InChIInChI=1S/C8H16N2O2S/c1-2-3-9-8(13)10-4-6-12-7-5-11/h2,11H,1,3-7H2,(H2,9,10,13)
InChIKeySYMNEPCGCLVGCN-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.35
Rot. Bonds7

About 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea

1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea (PubChem CID 3641995) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea
PubChem CID3641995
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCCOCCO
InChIInChI=1S/C8H16N2O2S/c1-2-3-9-8(13)10-4-6-12-7-5-11/h2,11H,1,3-7H2,(H2,9,10,13)
InChIKeySYMNEPCGCLVGCN-UHFFFAOYSA-N
XLogP-0.35
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea (CID 3641995) is 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea is C=CCNC(=S)NCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea?
The InChIKey is SYMNEPCGCLVGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-3-9-8(13)10-4-6-12-7-5-11/h2,11H,1,3-7H2,(H2,9,10,13).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea?
1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea has a molecular weight of 204.29 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-prop-2-enylthiourea is sourced from PubChem (CID 3641995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).