1-ethyl-3-(ethylamino)thiourea

C5H13N3S — CID 20526150

IUPAC1-ethyl-3-(ethylamino)thiourea
SMILESCCNNC(=S)NCC
InChIInChI=1S/C5H13N3S/c1-3-6-5(9)8-7-4-2/h7H,3-4H2,1-2H3,(H2,6,8,9)
InChIKeyJFFYBOBUDSJJNY-UHFFFAOYSA-N
MW147.25 g/mol
LogP-0.01
Rot. Bonds3

About 1-ethyl-3-(ethylamino)thiourea

1-ethyl-3-(ethylamino)thiourea (PubChem CID 20526150) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 1-ethyl-3-(ethylamino)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(ethylamino)thiourea
PubChem CID20526150
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name1-ethyl-3-(ethylamino)thiourea
SMILESCCNNC(=S)NCC
InChIInChI=1S/C5H13N3S/c1-3-6-5(9)8-7-4-2/h7H,3-4H2,1-2H3,(H2,6,8,9)
InChIKeyJFFYBOBUDSJJNY-UHFFFAOYSA-N
XLogP-0.01
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
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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Related Compounds

4-Ethyl-3-thiosemicarbazide
CID 1551780
3-Amino-1-butylthiourea
CID 1810303
n-Propylhydrazinecarbothioamide
CID 1810736
4-Isopropyl-3-thiosemicarbazide
CID 1809376
1-Amino-3-(2,2-dimethylpropyl)thiourea
CID 2798089
1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea
CID 3005301
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
4-Amino-5-methyl-4h-1h-1,2,4-triazole-3-thiol
CID 129729149
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
4-Sec-butyl-thiosemicarbazide
CID 3962768
N-Ethyl-2,2-dimethylhydrazine-1-carbothioamide
CID 4253634
1-(Tert-butylamino)-3-methylthiourea
CID 129909900

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(ethylamino)thiourea?
The IUPAC name of 1-ethyl-3-(ethylamino)thiourea (CID 20526150) is 1-ethyl-3-(ethylamino)thiourea.
What is the SMILES notation for 1-ethyl-3-(ethylamino)thiourea?
The canonical SMILES for 1-ethyl-3-(ethylamino)thiourea is CCNNC(=S)NCC.
What is the InChIKey of 1-ethyl-3-(ethylamino)thiourea?
The InChIKey is JFFYBOBUDSJJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-3-6-5(9)8-7-4-2/h7H,3-4H2,1-2H3,(H2,6,8,9).
What are the key properties of 1-ethyl-3-(ethylamino)thiourea?
1-ethyl-3-(ethylamino)thiourea has a molecular weight of 147.25 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(ethylamino)thiourea is sourced from PubChem (CID 20526150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).