1-ethyl-1-(ethylamino)thiourea

C5H13N3S — CID 159138018

IUPAC1-ethyl-1-(ethylamino)thiourea
SMILESCCNN(CC)C(N)=S
InChIInChI=1S/C5H13N3S/c1-3-7-8(4-2)5(6)9/h7H,3-4H2,1-2H3,(H2,6,9)
InChIKeyKHSXJCMOCSEIIT-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.08
Rot. Bonds3

About 1-ethyl-1-(ethylamino)thiourea

1-ethyl-1-(ethylamino)thiourea (PubChem CID 159138018) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 1-ethyl-1-(ethylamino)thiourea.

Molecular Properties

Compound Name1-ethyl-1-(ethylamino)thiourea
PubChem CID159138018
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name1-ethyl-1-(ethylamino)thiourea
SMILESCCNN(CC)C(N)=S
InChIInChI=1S/C5H13N3S/c1-3-7-8(4-2)5(6)9/h7H,3-4H2,1-2H3,(H2,6,9)
InChIKeyKHSXJCMOCSEIIT-UHFFFAOYSA-N
XLogP0.08
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(ethylamino)thiourea?
The IUPAC name of 1-ethyl-1-(ethylamino)thiourea (CID 159138018) is 1-ethyl-1-(ethylamino)thiourea.
What is the SMILES notation for 1-ethyl-1-(ethylamino)thiourea?
The canonical SMILES for 1-ethyl-1-(ethylamino)thiourea is CCNN(CC)C(N)=S.
What is the InChIKey of 1-ethyl-1-(ethylamino)thiourea?
The InChIKey is KHSXJCMOCSEIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-3-7-8(4-2)5(6)9/h7H,3-4H2,1-2H3,(H2,6,9).
What are the key properties of 1-ethyl-1-(ethylamino)thiourea?
1-ethyl-1-(ethylamino)thiourea has a molecular weight of 147.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(ethylamino)thiourea is sourced from PubChem (CID 159138018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).