(4-tert-butylphenyl)thiourea

C11H16N2S — CID 2765754

IUPAC(4-tert-butylphenyl)thiourea
SMILESCC(C)(C)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C11H16N2S/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
InChIKeyCDQMIFDISMKPDE-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.64
Rot. Bonds1

About (4-tert-butylphenyl)thiourea

(4-tert-butylphenyl)thiourea (PubChem CID 2765754) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is (4-tert-butylphenyl)thiourea.

Molecular Properties

Compound Name(4-tert-butylphenyl)thiourea
PubChem CID2765754
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name(4-tert-butylphenyl)thiourea
SMILESCC(C)(C)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C11H16N2S/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
InChIKeyCDQMIFDISMKPDE-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.64
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

N-(2-Methylphenyl)thiourea
CID 2787703
Thiourea, (3-methylphenyl)-
CID 701727
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
Methiuron
CID 3034319
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
p-Tolylthiourea
CID 722833
N-(2,4,6-Trimethylphenyl)thiourea
CID 2731118
Didesmethylisoproturon
CID 185831
Thiourea, N-phenyl-N'-(3-phenylpropyl)-
CID 3549496
1-(2-Naphthyl)-2-thiourea
CID 2829258
1,3-Bis(o-tolyl)thiourea
CID 688028
3,4-Dihydro-4,4,6-trimethyl-1-(4-methylphenyl)-2(1H)-pyrimidinethione
CID 704292

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)thiourea?
The IUPAC name of (4-tert-butylphenyl)thiourea (CID 2765754) is (4-tert-butylphenyl)thiourea.
What is the SMILES notation for (4-tert-butylphenyl)thiourea?
The canonical SMILES for (4-tert-butylphenyl)thiourea is CC(C)(C)c1ccc(NC(N)=S)cc1.
What is the InChIKey of (4-tert-butylphenyl)thiourea?
The InChIKey is CDQMIFDISMKPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14).
What are the key properties of (4-tert-butylphenyl)thiourea?
(4-tert-butylphenyl)thiourea has a molecular weight of 208.33 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)thiourea is sourced from PubChem (CID 2765754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).