1,3-bis(2-ethylphenyl)thiourea

C17H20N2S — CID 3034485

IUPAC1,3-bis(2-ethylphenyl)thiourea
SMILESCCc1ccccc1NC(=S)Nc1ccccc1CC
InChIInChI=1S/C17H20N2S/c1-3-13-9-5-7-11-15(13)18-17(20)19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyWYMLGVPROUZGCI-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.62
Rot. Bonds4

About 1,3-bis(2-ethylphenyl)thiourea

1,3-bis(2-ethylphenyl)thiourea (PubChem CID 3034485) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1,3-bis(2-ethylphenyl)thiourea.

Molecular Properties

Compound Name1,3-bis(2-ethylphenyl)thiourea
PubChem CID3034485
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1,3-bis(2-ethylphenyl)thiourea
SMILESCCc1ccccc1NC(=S)Nc1ccccc1CC
InChIInChI=1S/C17H20N2S/c1-3-13-9-5-7-11-15(13)18-17(20)19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyWYMLGVPROUZGCI-UHFFFAOYSA-N
XLogP4.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678469
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-2-[(2-methylphenyl)carbamothioylamino]acetamide
CID 8628429
1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8000945
1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea
CID 8000921
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
1-(1-benzylpyrazol-3-yl)-3-(2-ethylphenyl)thiourea
CID 17268305
ethyl 3-[(2-ethylphenyl)carbamothioylamino]benzoate
CID 17265637
2-chloro-N-[2,2,2-trichloro-1-[(2-ethylphenyl)carbamothioylamino]ethyl]acetamide
CID 18839296
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
CID 8675613

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethylphenyl)thiourea?
The IUPAC name of 1,3-bis(2-ethylphenyl)thiourea (CID 3034485) is 1,3-bis(2-ethylphenyl)thiourea.
What is the SMILES notation for 1,3-bis(2-ethylphenyl)thiourea?
The canonical SMILES for 1,3-bis(2-ethylphenyl)thiourea is CCc1ccccc1NC(=S)Nc1ccccc1CC.
What is the InChIKey of 1,3-bis(2-ethylphenyl)thiourea?
The InChIKey is WYMLGVPROUZGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-3-13-9-5-7-11-15(13)18-17(20)19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20).
What are the key properties of 1,3-bis(2-ethylphenyl)thiourea?
1,3-bis(2-ethylphenyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethylphenyl)thiourea is sourced from PubChem (CID 3034485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).