[4-(1-phenylethenyl)phenyl]thiourea

C15H14N2S — CID 169359445

IUPAC[4-(1-phenylethenyl)phenyl]thiourea
SMILESC=C(c1ccccc1)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C15H14N2S/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)17-15(16)18/h2-10H,1H2,(H3,16,17,18)
InChIKeyKLWZGKMTAITFPW-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.40
Rot. Bonds3

About [4-(1-phenylethenyl)phenyl]thiourea

[4-(1-phenylethenyl)phenyl]thiourea (PubChem CID 169359445) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is [4-(1-phenylethenyl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(1-phenylethenyl)phenyl]thiourea
PubChem CID169359445
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name[4-(1-phenylethenyl)phenyl]thiourea
SMILESC=C(c1ccccc1)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C15H14N2S/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)17-15(16)18/h2-10H,1H2,(H3,16,17,18)
InChIKeyKLWZGKMTAITFPW-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.40
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

sodium;hydride;phenylthiourea
CID 174376840
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
(4-pyrimidin-2-ylphenyl)thiourea
CID 169356507
N-[2-bromo-4-(carbamothioylamino)phenyl]benzamide
CID 169358569
[4-(carbamothioylamino)phenyl]boronic acid
CID 169356060
4-anilinobenzenecarbothioamide
CID 3008553
[4-(thiophene-2-carbonyl)phenyl]thiourea
CID 95560975
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
3-[[4-(carbamothioylamino)benzoyl]amino]propanoic acid
CID 169356062
phenol;1-phenylethenylbenzene
CID 174309625

Frequently Asked Questions

What is the IUPAC name of [4-(1-phenylethenyl)phenyl]thiourea?
The IUPAC name of [4-(1-phenylethenyl)phenyl]thiourea (CID 169359445) is [4-(1-phenylethenyl)phenyl]thiourea.
What is the SMILES notation for [4-(1-phenylethenyl)phenyl]thiourea?
The canonical SMILES for [4-(1-phenylethenyl)phenyl]thiourea is C=C(c1ccccc1)c1ccc(NC(N)=S)cc1.
What is the InChIKey of [4-(1-phenylethenyl)phenyl]thiourea?
The InChIKey is KLWZGKMTAITFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)17-15(16)18/h2-10H,1H2,(H3,16,17,18).
What are the key properties of [4-(1-phenylethenyl)phenyl]thiourea?
[4-(1-phenylethenyl)phenyl]thiourea has a molecular weight of 254.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-phenylethenyl)phenyl]thiourea is sourced from PubChem (CID 169359445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).