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

C16H26N2S — CID 169359447

IUPAC[2,4,6-tri(propan-2-yl)phenyl]thiourea
SMILESCC(C)c1cc(C(C)C)c(NC(N)=S)c(C(C)C)c1
InChIInChI=1S/C16H26N2S/c1-9(2)12-7-13(10(3)4)15(18-16(17)19)14(8-12)11(5)6/h7-11H,1-6H3,(H3,17,18,19)
InChIKeyRHWIVHDMQQKURF-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.71
Rot. Bonds4

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

[2,4,6-tri(propan-2-yl)phenyl]thiourea (PubChem CID 169359447) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is [2,4,6-tri(propan-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name[2,4,6-tri(propan-2-yl)phenyl]thiourea
PubChem CID169359447
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Name[2,4,6-tri(propan-2-yl)phenyl]thiourea
SMILESCC(C)c1cc(C(C)C)c(NC(N)=S)c(C(C)C)c1
InChIInChI=1S/C16H26N2S/c1-9(2)12-7-13(10(3)4)15(18-16(17)19)14(8-12)11(5)6/h7-11H,1-6H3,(H3,17,18,19)
InChIKeyRHWIVHDMQQKURF-UHFFFAOYSA-N
XLogP4.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.71
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

azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine
CID 18441023
(2,4,6-trimethylphenyl)thiourea
CID 2731118
2-bromo-3,5-di(propan-2-yl)phenol
CID 11550631
methyl N'-cyclopentyl-N-[2,4,6-tri(propan-2-yl)phenyl]carbamimidothioate
CID 150391369
ethane;[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;molecular hydrogen
CID 153396054
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
bis[2,4,6-tri(propan-2-yl)phenyl]borinic acid
CID 139174643
[5-[(carbamothioylamino)methyl]-2,4-di(propan-2-yl)phenyl]methylthiourea;dihydrobromide
CID 86645725
[3-(difluoromethyl)phenyl]thiourea
CID 118556287
2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide
CID 171869191

Frequently Asked Questions

What is the IUPAC name of [2,4,6-tri(propan-2-yl)phenyl]thiourea?
The IUPAC name of [2,4,6-tri(propan-2-yl)phenyl]thiourea (CID 169359447) is [2,4,6-tri(propan-2-yl)phenyl]thiourea.
What is the SMILES notation for [2,4,6-tri(propan-2-yl)phenyl]thiourea?
The canonical SMILES for [2,4,6-tri(propan-2-yl)phenyl]thiourea is CC(C)c1cc(C(C)C)c(NC(N)=S)c(C(C)C)c1.
What is the InChIKey of [2,4,6-tri(propan-2-yl)phenyl]thiourea?
The InChIKey is RHWIVHDMQQKURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-9(2)12-7-13(10(3)4)15(18-16(17)19)14(8-12)11(5)6/h7-11H,1-6H3,(H3,17,18,19).
What are the key properties of [2,4,6-tri(propan-2-yl)phenyl]thiourea?
[2,4,6-tri(propan-2-yl)phenyl]thiourea has a molecular weight of 278.47 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-tri(propan-2-yl)phenyl]thiourea is sourced from PubChem (CID 169359447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).