[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea

C19H24N2OS — CID 15753006

IUPAC[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
SMILESCC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(N)=S
InChIInChI=1S/C19H24N2OS/c1-12(2)16-10-15(22-14-8-6-5-7-9-14)11-17(13(3)4)18(16)21-19(20)23/h5-13H,1-4H3,(H3,20,21,23)
InChIKeyRBDFBEPKVUICAS-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.38
Rot. Bonds5

About [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea

[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea (PubChem CID 15753006) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
PubChem CID15753006
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
SMILESCC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(N)=S
InChIInChI=1S/C19H24N2OS/c1-12(2)16-10-15(22-14-8-6-5-7-9-14)11-17(13(3)4)18(16)21-19(20)23/h5-13H,1-4H3,(H3,20,21,23)
InChIKeyRBDFBEPKVUICAS-UHFFFAOYSA-N
XLogP5.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea?
The IUPAC name of [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea (CID 15753006) is [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea.
What is the SMILES notation for [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea?
The canonical SMILES for [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea is CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(N)=S.
What is the InChIKey of [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea?
The InChIKey is RBDFBEPKVUICAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-12(2)16-10-15(22-14-8-6-5-7-9-14)11-17(13(3)4)18(16)21-19(20)23/h5-13H,1-4H3,(H3,20,21,23).
What are the key properties of [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea?
[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea has a molecular weight of 328.48 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea is sourced from PubChem (CID 15753006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).