1,1-diphenyl-3-propylthiourea

C16H18N2S — CID 59644427

IUPAC1,1-diphenyl-3-propylthiourea
SMILESCCCNC(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2S/c1-2-13-17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19)
InChIKeyLQKJGUJWTWUPQC-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.11
Rot. Bonds4

About 1,1-diphenyl-3-propylthiourea

1,1-diphenyl-3-propylthiourea (PubChem CID 59644427) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1,1-diphenyl-3-propylthiourea.

Molecular Properties

Compound Name1,1-diphenyl-3-propylthiourea
PubChem CID59644427
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name1,1-diphenyl-3-propylthiourea
SMILESCCCNC(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2S/c1-2-13-17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19)
InChIKeyLQKJGUJWTWUPQC-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.11
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

3-butyl-1-methyl-1-phenylthiourea
CID 23446602
1-methyl-1-[(2-methylphenyl)methyl]-3-propylthiourea
CID 115570910
1-benzyl-3-propylthiourea
CID 12725927
1,1-dibenzyl-3-butylthiourea
CID 3522415
N-[naphthalen-2-yl(phenyl)carbamothioyl]propanamide
CID 3251820
1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
CID 17385332
3-(ethylcarbamothioyl)-1-phenyl-1-propylthiourea
CID 24835810
3-carbamothioyl-1-phenyl-1-propylthiourea
CID 24835818
1-(4-phenylbutyl)-3-propylthiourea
CID 19650176
N-(ethylcarbamothioyl)-N-phenylbenzamide
CID 57059223
1,1-dihexyl-3,3-diphenylthiourea
CID 20549673
1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-3-propylthiourea
CID 18289208

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-propylthiourea?
The IUPAC name of 1,1-diphenyl-3-propylthiourea (CID 59644427) is 1,1-diphenyl-3-propylthiourea.
What is the SMILES notation for 1,1-diphenyl-3-propylthiourea?
The canonical SMILES for 1,1-diphenyl-3-propylthiourea is CCCNC(=S)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-propylthiourea?
The InChIKey is LQKJGUJWTWUPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-13-17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19).
What are the key properties of 1,1-diphenyl-3-propylthiourea?
1,1-diphenyl-3-propylthiourea has a molecular weight of 270.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-propylthiourea is sourced from PubChem (CID 59644427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).