1,3-bis(ethylamino)thiourea

C5H14N4S — CID 174665728

IUPAC1,3-bis(ethylamino)thiourea
SMILESCCNNC(=S)NNCC
InChIInChI=1S/C5H14N4S/c1-3-6-8-5(10)9-7-4-2/h6-7H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyXGYFTMNBKQHUOJ-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.50
Rot. Bonds4

About 1,3-bis(ethylamino)thiourea

1,3-bis(ethylamino)thiourea (PubChem CID 174665728) has the molecular formula C5H14N4S and a molecular weight of 162.26 g/mol. Its IUPAC name is 1,3-bis(ethylamino)thiourea.

Molecular Properties

Compound Name1,3-bis(ethylamino)thiourea
PubChem CID174665728
Molecular FormulaC5H14N4S
Molecular Weight162.26 g/mol
Exact Mass162.09
IUPAC Name1,3-bis(ethylamino)thiourea
SMILESCCNNC(=S)NNCC
InChIInChI=1S/C5H14N4S/c1-3-6-8-5(10)9-7-4-2/h6-7H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyXGYFTMNBKQHUOJ-UHFFFAOYSA-N
XLogP-0.50
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.50
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 1,3-bis(ethylamino)thiourea?
The IUPAC name of 1,3-bis(ethylamino)thiourea (CID 174665728) is 1,3-bis(ethylamino)thiourea.
What is the SMILES notation for 1,3-bis(ethylamino)thiourea?
The canonical SMILES for 1,3-bis(ethylamino)thiourea is CCNNC(=S)NNCC.
What is the InChIKey of 1,3-bis(ethylamino)thiourea?
The InChIKey is XGYFTMNBKQHUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4S/c1-3-6-8-5(10)9-7-4-2/h6-7H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 1,3-bis(ethylamino)thiourea?
1,3-bis(ethylamino)thiourea has a molecular weight of 162.26 g/mol, XLogP of -0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethylamino)thiourea is sourced from PubChem (CID 174665728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).