1-methyl-3-(2-phenylpropan-2-yl)thiourea

C11H16N2S — CID 13065164

IUPAC1-methyl-3-(2-phenylpropan-2-yl)thiourea
SMILESCNC(=S)NC(C)(C)c1ccccc1
InChIInChI=1S/C11H16N2S/c1-11(2,13-10(14)12-3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyWMUMJGGKBJINBD-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.02
Rot. Bonds2

About 1-methyl-3-(2-phenylpropan-2-yl)thiourea

1-methyl-3-(2-phenylpropan-2-yl)thiourea (PubChem CID 13065164) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(2-phenylpropan-2-yl)thiourea
PubChem CID13065164
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-methyl-3-(2-phenylpropan-2-yl)thiourea
SMILESCNC(=S)NC(C)(C)c1ccccc1
InChIInChI=1S/C11H16N2S/c1-11(2,13-10(14)12-3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyWMUMJGGKBJINBD-UHFFFAOYSA-N
XLogP2.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.02
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

2-phenylpropan-2-ylcarbamic acid
CID 23445609
O-ethyl N-(2-phenylpropan-2-yl)carbamothioate
CID 101474964
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
N-(2-phenylpropan-2-yl)pentalene-1-carboxamide
CID 141292888
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
1,1-difluoro-N-methyl-2-phenylpropan-2-amine
CID 80604912
2-iodo-N-(2-phenylpropan-2-yl)benzamide
CID 47444713
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylpropan-2-yl)thiourea?
The IUPAC name of 1-methyl-3-(2-phenylpropan-2-yl)thiourea (CID 13065164) is 1-methyl-3-(2-phenylpropan-2-yl)thiourea.
What is the SMILES notation for 1-methyl-3-(2-phenylpropan-2-yl)thiourea?
The canonical SMILES for 1-methyl-3-(2-phenylpropan-2-yl)thiourea is CNC(=S)NC(C)(C)c1ccccc1.
What is the InChIKey of 1-methyl-3-(2-phenylpropan-2-yl)thiourea?
The InChIKey is WMUMJGGKBJINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-11(2,13-10(14)12-3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,13,14).
What are the key properties of 1-methyl-3-(2-phenylpropan-2-yl)thiourea?
1-methyl-3-(2-phenylpropan-2-yl)thiourea has a molecular weight of 208.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylpropan-2-yl)thiourea is sourced from PubChem (CID 13065164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).