1-(ethylcarbamothioylamino)-1-phenylurea

C10H14N4OS — CID 22301401

IUPAC1-(ethylcarbamothioylamino)-1-phenylurea
SMILESCCNC(=S)NN(C(N)=O)c1ccccc1
InChIInChI=1S/C10H14N4OS/c1-2-12-10(16)13-14(9(11)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,15)(H2,12,13,16)
InChIKeyJRWCFXQEHILAGG-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.97
Rot. Bonds2

About 1-(ethylcarbamothioylamino)-1-phenylurea

1-(ethylcarbamothioylamino)-1-phenylurea (PubChem CID 22301401) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-(ethylcarbamothioylamino)-1-phenylurea.

Molecular Properties

Compound Name1-(ethylcarbamothioylamino)-1-phenylurea
PubChem CID22301401
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-(ethylcarbamothioylamino)-1-phenylurea
SMILESCCNC(=S)NN(C(N)=O)c1ccccc1
InChIInChI=1S/C10H14N4OS/c1-2-12-10(16)13-14(9(11)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,15)(H2,12,13,16)
InChIKeyJRWCFXQEHILAGG-UHFFFAOYSA-N
XLogP0.97
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.97
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

N-(ethylcarbamothioyl)-N-phenylbenzamide
CID 57059223
3-(ethylcarbamothioyl)-1-phenyl-1-propylthiourea
CID 24835810
ethylamino(phenyl)carbamic acid
CID 159582603
3-ethyl-1-[[2-[[N-(ethylcarbamothioyl)anilino]sulfamoyl]acetyl]amino]-1-phenylthiourea
CID 46240119
butane;1,1-diphenylurea
CID 70397101
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333
1-(furan-2-carbonylamino)-1-phenylurea
CID 22303173
3-(N-ethylanilino)propylurea
CID 112708177
N-ethyl-N'-phenyl-N'-pyrrolidin-1-yloxamide
CID 173109987
1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea
CID 22299122
1-phenyl-1-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
CID 20850944
1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea
CID 22306389

Frequently Asked Questions

What is the IUPAC name of 1-(ethylcarbamothioylamino)-1-phenylurea?
The IUPAC name of 1-(ethylcarbamothioylamino)-1-phenylurea (CID 22301401) is 1-(ethylcarbamothioylamino)-1-phenylurea.
What is the SMILES notation for 1-(ethylcarbamothioylamino)-1-phenylurea?
The canonical SMILES for 1-(ethylcarbamothioylamino)-1-phenylurea is CCNC(=S)NN(C(N)=O)c1ccccc1.
What is the InChIKey of 1-(ethylcarbamothioylamino)-1-phenylurea?
The InChIKey is JRWCFXQEHILAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-2-12-10(16)13-14(9(11)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,15)(H2,12,13,16).
What are the key properties of 1-(ethylcarbamothioylamino)-1-phenylurea?
1-(ethylcarbamothioylamino)-1-phenylurea has a molecular weight of 238.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylcarbamothioylamino)-1-phenylurea is sourced from PubChem (CID 22301401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).