1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea

C9H15F3N2S — CID 106217409

IUPAC1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea
SMILESCC(C)CNC(=S)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2S/c1-6(2)5-13-7(15)14-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyFOYTXZUKZORPII-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.20
Rot. Bonds3

About 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea

1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea (PubChem CID 106217409) has the molecular formula C9H15F3N2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea
PubChem CID106217409
Molecular FormulaC9H15F3N2S
Molecular Weight240.29 g/mol
Exact Mass240.09
IUPAC Name1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea
SMILESCC(C)CNC(=S)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2S/c1-6(2)5-13-7(15)14-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyFOYTXZUKZORPII-UHFFFAOYSA-N
XLogP2.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.20
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

1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
CID 115593471
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 176873148
1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea
CID 130636579
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766
1-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520307
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213177
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
CID 115629343
(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213284
1-(1-methoxy-2-methylpropan-2-yl)-3-(2-methylpropyl)thiourea
CID 115606395
2-methyl-3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanoic acid
CID 106216719
N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158562
2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]butanoic acid
CID 114159445

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea?
The IUPAC name of 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea (CID 106217409) is 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea?
The canonical SMILES for 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea is CC(C)CNC(=S)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea?
The InChIKey is FOYTXZUKZORPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2S/c1-6(2)5-13-7(15)14-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea?
1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea has a molecular weight of 240.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea is sourced from PubChem (CID 106217409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).