ethylaminothiourea;N-ethylethanamine

C7H20N4S — CID 23318743

IUPACethylaminothiourea;N-ethylethanamine
SMILESCCNCC.CCNNC(N)=S
InChIInChI=1S/C4H11N.C3H9N3S/c1-3-5-4-2;1-2-5-6-3(4)7/h5H,3-4H2,1-2H3;5H,2H2,1H3,(H3,4,6,7)
InChIKeyVKXWFBZSMARAJD-UHFFFAOYSA-N
MW192.33 g/mol
LogP-0.04
Rot. Bonds4

About ethylaminothiourea;N-ethylethanamine

ethylaminothiourea;N-ethylethanamine (PubChem CID 23318743) has the molecular formula C7H20N4S and a molecular weight of 192.33 g/mol. Its IUPAC name is ethylaminothiourea;N-ethylethanamine.

Molecular Properties

Compound Nameethylaminothiourea;N-ethylethanamine
PubChem CID23318743
Molecular FormulaC7H20N4S
Molecular Weight192.33 g/mol
Exact Mass192.14
IUPAC Nameethylaminothiourea;N-ethylethanamine
SMILESCCNCC.CCNNC(N)=S
InChIInChI=1S/C4H11N.C3H9N3S/c1-3-5-4-2;1-2-5-6-3(4)7/h5H,3-4H2,1-2H3;5H,2H2,1H3,(H3,4,6,7)
InChIKeyVKXWFBZSMARAJD-UHFFFAOYSA-N
XLogP-0.04
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 ethylaminothiourea;N-ethylethanamine?
The IUPAC name of ethylaminothiourea;N-ethylethanamine (CID 23318743) is ethylaminothiourea;N-ethylethanamine.
What is the SMILES notation for ethylaminothiourea;N-ethylethanamine?
The canonical SMILES for ethylaminothiourea;N-ethylethanamine is CCNCC.CCNNC(N)=S.
What is the InChIKey of ethylaminothiourea;N-ethylethanamine?
The InChIKey is VKXWFBZSMARAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H9N3S/c1-3-5-4-2;1-2-5-6-3(4)7/h5H,3-4H2,1-2H3;5H,2H2,1H3,(H3,4,6,7).
What are the key properties of ethylaminothiourea;N-ethylethanamine?
ethylaminothiourea;N-ethylethanamine has a molecular weight of 192.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminothiourea;N-ethylethanamine is sourced from PubChem (CID 23318743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).