1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea

C9H20N2S — CID 115591635

IUPAC1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NCC(C)(C)C
InChIInChI=1S/C9H20N2S/c1-7(2)11-8(12)10-6-9(3,4)5/h7H,6H2,1-5H3,(H2,10,11,12)
InChIKeyOGDVPUGABMWBHE-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.90
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea

1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea (PubChem CID 115591635) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea
PubChem CID115591635
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NCC(C)(C)C
InChIInChI=1S/C9H20N2S/c1-7(2)11-8(12)10-6-9(3,4)5/h7H,6H2,1-5H3,(H2,10,11,12)
InChIKeyOGDVPUGABMWBHE-UHFFFAOYSA-N
XLogP1.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.90
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,N'-Dibutylthiourea
CID 2723622
Diisopropylthiourea
CID 2758386
1,3-Dipropyl-2-thiourea
CID 2801214
N-(tert-butyl)-N'-cyclopropylthiourea
CID 2798326
N,N'-Bis(2-methylpropyl)thiourea
CID 3035343
[(2S)-butan-2-yl]thiourea
CID 2432029
N-tert-Butyl-N'-propan-2-ylthiourea
CID 12750667
sec-Butyl-thiourea
CID 3346206
1,1,3-Tri(propan-2-yl)thiourea
CID 14423924
3-Methyl-1,1-di(propan-2-yl)thiourea
CID 15415261
ST51032227
CID 4611181
1-Cyclopropyl-3-methylthiourea
CID 19650396

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea (CID 115591635) is 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea is CC(C)NC(=S)NCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea?
The InChIKey is OGDVPUGABMWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-7(2)11-8(12)10-6-9(3,4)5/h7H,6H2,1-5H3,(H2,10,11,12).
What are the key properties of 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea?
1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea has a molecular weight of 188.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-propan-2-ylthiourea is sourced from PubChem (CID 115591635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).