1-ethyl-1-(ethylideneamino)thiourea

C5H11N3S — CID 88775197

IUPAC1-ethyl-1-(ethylideneamino)thiourea
SMILESCC=NN(CC)C(N)=S
InChIInChI=1S/C5H11N3S/c1-3-7-8(4-2)5(6)9/h3H,4H2,1-2H3,(H2,6,9)
InChIKeyVLRNZKLZAWVOCY-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.56
Rot. Bonds2

About 1-ethyl-1-(ethylideneamino)thiourea

1-ethyl-1-(ethylideneamino)thiourea (PubChem CID 88775197) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-ethyl-1-(ethylideneamino)thiourea.

Molecular Properties

Compound Name1-ethyl-1-(ethylideneamino)thiourea
PubChem CID88775197
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name1-ethyl-1-(ethylideneamino)thiourea
SMILESCC=NN(CC)C(N)=S
InChIInChI=1S/C5H11N3S/c1-3-7-8(4-2)5(6)9/h3H,4H2,1-2H3,(H2,6,9)
InChIKeyVLRNZKLZAWVOCY-UHFFFAOYSA-N
XLogP0.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
1-ethyl-1-[(4,5,6-trioxo-1,3-diazinan-2-ylidene)amino]thiourea
CID 137199503
1,1-diethylthiourea;λ2-plumbane
CID 173060169
N'-[ethyl-[(Z)-pent-2-en-3-yl]amino]methanimidamide
CID 130247456
ethyl N-butyl-N-[(E)-ethylideneamino]carbamate
CID 130340573
1-(diethylamino)-1-methylthiourea
CID 121344971
carbamodithioic acid;N,N-diethylethanamine
CID 71364945
1-ethyl-1-nitrosourea
CID 159023173
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)ethylidene]amino]thiourea;propane
CID 172974668
1-butan-2-yl-1-ethylthiourea
CID 43274502
1-(carbamothioylamino)-1-ethylthiourea
CID 174746533
(ethylideneamino)-(methylsulfanylmethyl)carbamic acid
CID 57244525

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(ethylideneamino)thiourea?
The IUPAC name of 1-ethyl-1-(ethylideneamino)thiourea (CID 88775197) is 1-ethyl-1-(ethylideneamino)thiourea.
What is the SMILES notation for 1-ethyl-1-(ethylideneamino)thiourea?
The canonical SMILES for 1-ethyl-1-(ethylideneamino)thiourea is CC=NN(CC)C(N)=S.
What is the InChIKey of 1-ethyl-1-(ethylideneamino)thiourea?
The InChIKey is VLRNZKLZAWVOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-3-7-8(4-2)5(6)9/h3H,4H2,1-2H3,(H2,6,9).
What are the key properties of 1-ethyl-1-(ethylideneamino)thiourea?
1-ethyl-1-(ethylideneamino)thiourea has a molecular weight of 145.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(ethylideneamino)thiourea is sourced from PubChem (CID 88775197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).