1-(2,4-difluorophenyl)-3-propylthiourea

C10H12F2N2S — CID 2730495

IUPAC1-(2,4-difluorophenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2S/c1-2-5-13-10(15)14-9-4-3-7(11)6-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15)
InChIKeyMPZDHMMHDABGNM-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.66
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-propylthiourea

1-(2,4-difluorophenyl)-3-propylthiourea (PubChem CID 2730495) has the molecular formula C10H12F2N2S and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-propylthiourea
PubChem CID2730495
Molecular FormulaC10H12F2N2S
Molecular Weight230.28 g/mol
Exact Mass230.07
IUPAC Name1-(2,4-difluorophenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2S/c1-2-5-13-10(15)14-9-4-3-7(11)6-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15)
InChIKeyMPZDHMMHDABGNM-UHFFFAOYSA-N
XLogP2.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.66
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

Phenylthiourea
CID 676454
Diphenylthiourea
CID 700999
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1-Allyl-3-phenyl-2-thiourea
CID 1549745
1-Methyl-3-phenylthiourea
CID 698294
4-Fluoro-N-methylaniline
CID 68024
(2,4-Difluorophenyl)thiourea
CID 2734207
Thiourea, N-ethyl-N-phenyl-
CID 825369
1-Ethyl-3-phenylurea
CID 12115
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
CID 768560
4-Fluorophenylthiourea
CID 693061
1-Methyl-1-phenylthiourea
CID 723631

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-propylthiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-propylthiourea (CID 2730495) is 1-(2,4-difluorophenyl)-3-propylthiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-propylthiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-propylthiourea is CCCNC(=S)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-propylthiourea?
The InChIKey is MPZDHMMHDABGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2S/c1-2-5-13-10(15)14-9-4-3-7(11)6-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2,4-difluorophenyl)-3-propylthiourea?
1-(2,4-difluorophenyl)-3-propylthiourea has a molecular weight of 230.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-propylthiourea is sourced from PubChem (CID 2730495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).