1,1-bis(4-hydroxyphenyl)-3-phenylthiourea

C19H16N2O2S — CID 4673242

IUPAC1,1-bis(4-hydroxyphenyl)-3-phenylthiourea
SMILESOc1ccc(N(C(=S)Nc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16N2O2S/c22-17-10-6-15(7-11-17)21(16-8-12-18(23)13-9-16)19(24)20-14-4-2-1-3-5-14/h1-13,22-23H,(H,20,24)
InChIKeyYEJUVWISXNCDHW-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.63
Rot. Bonds3

About 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea

1,1-bis(4-hydroxyphenyl)-3-phenylthiourea (PubChem CID 4673242) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1,1-bis(4-hydroxyphenyl)-3-phenylthiourea
PubChem CID4673242
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name1,1-bis(4-hydroxyphenyl)-3-phenylthiourea
SMILESOc1ccc(N(C(=S)Nc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16N2O2S/c22-17-10-6-15(7-11-17)21(16-8-12-18(23)13-9-16)19(24)20-14-4-2-1-3-5-14/h1-13,22-23H,(H,20,24)
InChIKeyYEJUVWISXNCDHW-UHFFFAOYSA-N
XLogP4.63
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-anilino-1,3-diphenylthiourea
CID 71327325
1-(dimethylamino)-1,3-diphenylthiourea
CID 174700414
N-phenyl-N-(phenylcarbamothioyl)formamide
CID 110272511
1-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
4-(4-anilino-N-methylanilino)phenol
CID 143031995
N,N',N'-triphenyloxamide
CID 54357836
1,3-dimethyl-1-[N-(phenylcarbamothioyl)anilino]thiourea
CID 88817673
1-(aminosulfanylmethyl)-1,3-diphenylthiourea
CID 90755015
1,1-dibutyl-3-phenylthiourea
CID 3101699
[anilino(dimethylamino)methylidene]rhodium
CID 54707614

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea?
The IUPAC name of 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea (CID 4673242) is 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea.
What is the SMILES notation for 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea?
The canonical SMILES for 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea is Oc1ccc(N(C(=S)Nc2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea?
The InChIKey is YEJUVWISXNCDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-17-10-6-15(7-11-17)21(16-8-12-18(23)13-9-16)19(24)20-14-4-2-1-3-5-14/h1-13,22-23H,(H,20,24).
What are the key properties of 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea?
1,1-bis(4-hydroxyphenyl)-3-phenylthiourea has a molecular weight of 336.42 g/mol, XLogP of 4.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-hydroxyphenyl)-3-phenylthiourea is sourced from PubChem (CID 4673242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).