1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

C19H22N2S — CID 19652717

IUPAC1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESCCc1ccccc1NC(=S)NC1CCCc2ccccc21
InChIInChI=1S/C19H22N2S/c1-2-14-8-4-6-12-17(14)20-19(22)21-18-13-7-10-15-9-3-5-11-16(15)18/h3-6,8-9,11-12,18H,2,7,10,13H2,1H3,(H2,20,21,22)
InChIKeyDZSPMQGSTXEDLL-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.61
Rot. Bonds3

About 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (PubChem CID 19652717) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
PubChem CID19652717
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC Name1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESCCc1ccccc1NC(=S)NC1CCCc2ccccc21
InChIInChI=1S/C19H22N2S/c1-2-14-8-4-6-12-17(14)20-19(22)21-18-13-7-10-15-9-3-5-11-16(15)18/h3-6,8-9,11-12,18H,2,7,10,13H2,1H3,(H2,20,21,22)
InChIKeyDZSPMQGSTXEDLL-UHFFFAOYSA-N
XLogP4.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.61
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

1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 2441518
1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669343
1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 7744929
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea
CID 3723161
1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 62304428
1-(4-chlorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669333
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 841694
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
1,3-bis(2-ethylphenyl)thiourea
CID 3034485

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The IUPAC name of 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (CID 19652717) is 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is CCc1ccccc1NC(=S)NC1CCCc2ccccc21.
What is the InChIKey of 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The InChIKey is DZSPMQGSTXEDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-2-14-8-4-6-12-17(14)20-19(22)21-18-13-7-10-15-9-3-5-11-16(15)18/h3-6,8-9,11-12,18H,2,7,10,13H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea has a molecular weight of 310.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is sourced from PubChem (CID 19652717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).