1,3-diethyl-1,3-diphenylthiourea

C17H20N2S — CID 20346

IUPAC1,3-diethyl-1,3-diphenylthiourea
SMILESCCN(C(=S)N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyVPZPJKCEYBMGLL-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.32
Rot. Bonds4

About 1,3-diethyl-1,3-diphenylthiourea

1,3-diethyl-1,3-diphenylthiourea (PubChem CID 20346) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1,3-diethyl-1,3-diphenylthiourea.

Molecular Properties

Compound Name1,3-diethyl-1,3-diphenylthiourea
PubChem CID20346
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1,3-diethyl-1,3-diphenylthiourea
SMILESCCN(C(=S)N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyVPZPJKCEYBMGLL-UHFFFAOYSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diphenylthiourea
CID 700999
1-Allyl-3-phenyl-2-thiourea
CID 1549745
Centralite
CID 6828
Solvent Yellow 56
CID 17204
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1-Methyl-3-phenylthiourea
CID 698294
1,1-Diphenyl-2-thiourea
CID 3034143
N,N'-dimethyldiphenylthiuram disulphide
CID 82747
Thiourea, N-ethyl-N-phenyl-
CID 825369
Zinc ethylphenylthiocarbamate
CID 61753
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
CID 768560
1-Ethyl-1,3-diphenylurea
CID 98685

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,3-diphenylthiourea?
The IUPAC name of 1,3-diethyl-1,3-diphenylthiourea (CID 20346) is 1,3-diethyl-1,3-diphenylthiourea.
What is the SMILES notation for 1,3-diethyl-1,3-diphenylthiourea?
The canonical SMILES for 1,3-diethyl-1,3-diphenylthiourea is CCN(C(=S)N(CC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diethyl-1,3-diphenylthiourea?
The InChIKey is VPZPJKCEYBMGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-1,3-diphenylthiourea?
1,3-diethyl-1,3-diphenylthiourea has a molecular weight of 284.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,3-diphenylthiourea is sourced from PubChem (CID 20346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).