3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea

C19H17ClN2S — CID 23826628

IUPAC3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea
SMILESCCN(C(=S)Nc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C19H17ClN2S/c1-2-22(19(23)21-17-12-6-5-11-16(17)20)18-13-7-9-14-8-3-4-10-15(14)18/h3-13H,2H2,1H3,(H,21,23)
InChIKeyGSPBHALAGMJADC-UHFFFAOYSA-N
MW340.88 g/mol
LogP5.72
Rot. Bonds3

About 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea

3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea (PubChem CID 23826628) has the molecular formula C19H17ClN2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea
PubChem CID23826628
Molecular FormulaC19H17ClN2S
Molecular Weight340.88 g/mol
Exact Mass340.08
IUPAC Name3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea
SMILESCCN(C(=S)Nc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C19H17ClN2S/c1-2-22(19(23)21-17-12-6-5-11-16(17)20)18-13-7-9-14-8-3-4-10-15(14)18/h3-13H,2H2,1H3,(H,21,23)
InChIKeyGSPBHALAGMJADC-UHFFFAOYSA-N
XLogP5.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.88
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(2-methylphenyl)-1-naphthalen-1-ylthiourea
CID 23934124
1-benzyl-3-(2-chlorophenyl)-1-phenylthiourea
CID 17384143
3-naphthalen-1-yl-1,1-dipropylthiourea
CID 19653014
2,2-dichloro-N-[ethyl(naphthalen-1-yl)carbamothioyl]-1-methylcyclopropane-1-carboxamide
CID 3908000
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
CID 2337968
2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 91500272
3-(2-chlorophenyl)-1,1-bis(prop-2-enyl)thiourea
CID 19653058
1-methyl-1-[(1R,2R)-2-[methyl(naphthalen-1-ylcarbamothioyl)amino]-1,2-diphenylethyl]-3-naphthalen-1-ylthiourea
CID 102094189
3-(3-chloro-2-methylphenyl)-1,1-dipropylthiourea
CID 17379704
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 6234760

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea?
The IUPAC name of 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea (CID 23826628) is 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea?
The canonical SMILES for 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea is CCN(C(=S)Nc1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea?
The InChIKey is GSPBHALAGMJADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2S/c1-2-22(19(23)21-17-12-6-5-11-16(17)20)18-13-7-9-14-8-3-4-10-15(14)18/h3-13H,2H2,1H3,(H,21,23).
What are the key properties of 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea?
3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea has a molecular weight of 340.88 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea is sourced from PubChem (CID 23826628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).