1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea

C9H20N2S — CID 12906297

IUPAC1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea
SMILESCCC(C)(C)NC(=S)NC(C)C
InChIInChI=1S/C9H20N2S/c1-6-9(4,5)11-8(12)10-7(2)3/h7H,6H2,1-5H3,(H2,10,11,12)
InChIKeyPSLCJUCKCJKEDT-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.05
Rot. Bonds3

About 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea

1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea (PubChem CID 12906297) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea
PubChem CID12906297
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea
SMILESCCC(C)(C)NC(=S)NC(C)C
InChIInChI=1S/C9H20N2S/c1-6-9(4,5)11-8(12)10-7(2)3/h7H,6H2,1-5H3,(H2,10,11,12)
InChIKeyPSLCJUCKCJKEDT-UHFFFAOYSA-N
XLogP2.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
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-methylbutan-2-yl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea (CID 12906297) is 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea is CCC(C)(C)NC(=S)NC(C)C.
What is the InChIKey of 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea?
The InChIKey is PSLCJUCKCJKEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-6-9(4,5)11-8(12)10-7(2)3/h7H,6H2,1-5H3,(H2,10,11,12).
What are the key properties of 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea?
1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea has a molecular weight of 188.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-3-propan-2-ylthiourea is sourced from PubChem (CID 12906297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).