3-(ethylamino)-2-iodopropanethial

C5H10INS — CID 54474447

IUPAC3-(ethylamino)-2-iodopropanethial
SMILESCCNCC(I)C=S
InChIInChI=1S/C5H10INS/c1-2-7-3-5(6)4-8/h4-5,7H,2-3H2,1H3
InChIKeyQJTBAJYEARZHAP-UHFFFAOYSA-N
MW243.11 g/mol
LogP1.40
Rot. Bonds4

About 3-(ethylamino)-2-iodopropanethial

3-(ethylamino)-2-iodopropanethial (PubChem CID 54474447) has the molecular formula C5H10INS and a molecular weight of 243.11 g/mol. Its IUPAC name is 3-(ethylamino)-2-iodopropanethial.

Molecular Properties

Compound Name3-(ethylamino)-2-iodopropanethial
PubChem CID54474447
Molecular FormulaC5H10INS
Molecular Weight243.11 g/mol
Exact Mass242.96
IUPAC Name3-(ethylamino)-2-iodopropanethial
SMILESCCNCC(I)C=S
InChIInChI=1S/C5H10INS/c1-2-7-3-5(6)4-8/h4-5,7H,2-3H2,1H3
InChIKeyQJTBAJYEARZHAP-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-iodopropanethial?
The IUPAC name of 3-(ethylamino)-2-iodopropanethial (CID 54474447) is 3-(ethylamino)-2-iodopropanethial.
What is the SMILES notation for 3-(ethylamino)-2-iodopropanethial?
The canonical SMILES for 3-(ethylamino)-2-iodopropanethial is CCNCC(I)C=S.
What is the InChIKey of 3-(ethylamino)-2-iodopropanethial?
The InChIKey is QJTBAJYEARZHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INS/c1-2-7-3-5(6)4-8/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-(ethylamino)-2-iodopropanethial?
3-(ethylamino)-2-iodopropanethial has a molecular weight of 243.11 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-iodopropanethial is sourced from PubChem (CID 54474447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).