1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea

C9H18N2S — CID 115591628

IUPAC1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea
SMILESCC(C)(C)CNC(=S)NC1CC1
InChIInChI=1S/C9H18N2S/c1-9(2,3)6-10-8(12)11-7-4-5-7/h7H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyWOGZORJRVLJGTN-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.66
Rot. Bonds2

About 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea

1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea (PubChem CID 115591628) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea
PubChem CID115591628
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea
SMILESCC(C)(C)CNC(=S)NC1CC1
InChIInChI=1S/C9H18N2S/c1-9(2,3)6-10-8(12)11-7-4-5-7/h7H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyWOGZORJRVLJGTN-UHFFFAOYSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.66
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-cyclopropyl-3-(2,2-dimethylpropyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea (CID 115591628) is 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea is CC(C)(C)CNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea?
The InChIKey is WOGZORJRVLJGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-9(2,3)6-10-8(12)11-7-4-5-7/h7H,4-6H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea?
1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea has a molecular weight of 186.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-dimethylpropyl)thiourea is sourced from PubChem (CID 115591628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).