1-(2,2-dimethylpropyl)-1-methylthiourea

C7H16N2S — CID 13144610

IUPAC1-(2,2-dimethylpropyl)-1-methylthiourea
SMILESCN(CC(C)(C)C)C(N)=S
InChIInChI=1S/C7H16N2S/c1-7(2,3)5-9(4)6(8)10/h5H2,1-4H3,(H2,8,10)
InChIKeyGEIDWIKQXFKUHZ-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.21
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-1-methylthiourea

1-(2,2-dimethylpropyl)-1-methylthiourea (PubChem CID 13144610) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-methylthiourea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-methylthiourea
PubChem CID13144610
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name1-(2,2-dimethylpropyl)-1-methylthiourea
SMILESCN(CC(C)(C)C)C(N)=S
InChIInChI=1S/C7H16N2S/c1-7(2,3)5-9(4)6(8)10/h5H2,1-4H3,(H2,8,10)
InChIKeyGEIDWIKQXFKUHZ-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(2,2-dimethylpropyl)-1-methylthiourea?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-methylthiourea (CID 13144610) is 1-(2,2-dimethylpropyl)-1-methylthiourea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-methylthiourea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-methylthiourea is CN(CC(C)(C)C)C(N)=S.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-methylthiourea?
The InChIKey is GEIDWIKQXFKUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-7(2,3)5-9(4)6(8)10/h5H2,1-4H3,(H2,8,10).
What are the key properties of 1-(2,2-dimethylpropyl)-1-methylthiourea?
1-(2,2-dimethylpropyl)-1-methylthiourea has a molecular weight of 160.29 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1-methylthiourea is sourced from PubChem (CID 13144610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).