1-cyclopropyl-3-(4-phenylphenyl)thiourea

C16H16N2S — CID 7942442

IUPAC1-cyclopropyl-3-(4-phenylphenyl)thiourea
SMILESS=C(Nc1ccc(-c2ccccc2)cc1)NC1CC1
InChIInChI=1S/C16H16N2S/c19-16(18-15-10-11-15)17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,17,18,19)
InChIKeyOISZCOOIXOKXPI-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.80
Rot. Bonds3

About 1-cyclopropyl-3-(4-phenylphenyl)thiourea

1-cyclopropyl-3-(4-phenylphenyl)thiourea (PubChem CID 7942442) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-phenylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-phenylphenyl)thiourea
PubChem CID7942442
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name1-cyclopropyl-3-(4-phenylphenyl)thiourea
SMILESS=C(Nc1ccc(-c2ccccc2)cc1)NC1CC1
InChIInChI=1S/C16H16N2S/c19-16(18-15-10-11-15)17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,17,18,19)
InChIKeyOISZCOOIXOKXPI-UHFFFAOYSA-N
XLogP3.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.80
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-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
1-phenyl-3-(thian-4-yl)thiourea
CID 115599642
1-phenyl-3-(4-propylcyclohexyl)thiourea
CID 115591592
1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-methylphenyl)thiourea
CID 2464474
1-(4-chloro-1,1-dioxothiolan-3-yl)-3-(4-phenylphenyl)thiourea
CID 43828102
1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
CID 115570462
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-(4-fluorophenyl)-3-[4-[[4-[(4-fluorophenyl)carbamothioylamino]cyclohexyl]methyl]cyclohexyl]thiourea
CID 4137701
1-cyclohexyl-3-[4-(N-propan-2-ylanilino)phenyl]thiourea
CID 23795770
1-acridin-3-yl-3-cyclopropylthiourea
CID 126196525
1-phenyl-3-(thian-3-yl)thiourea
CID 115675091

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-phenylphenyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(4-phenylphenyl)thiourea (CID 7942442) is 1-cyclopropyl-3-(4-phenylphenyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(4-phenylphenyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(4-phenylphenyl)thiourea is S=C(Nc1ccc(-c2ccccc2)cc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-phenylphenyl)thiourea?
The InChIKey is OISZCOOIXOKXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c19-16(18-15-10-11-15)17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-3-(4-phenylphenyl)thiourea?
1-cyclopropyl-3-(4-phenylphenyl)thiourea has a molecular weight of 268.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-phenylphenyl)thiourea is sourced from PubChem (CID 7942442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).