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

C7H15FN2S — CID 131067285

IUPAC1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NC(C)CF
InChIInChI=1S/C7H15FN2S/c1-5(2)9-7(11)10-6(3)4-8/h5-6H,4H2,1-3H3,(H2,9,10,11)
InChIKeyGLFLRTJLSKUZEE-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.22
Rot. Bonds3

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

1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea (PubChem CID 131067285) has the molecular formula C7H15FN2S and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea
PubChem CID131067285
Molecular FormulaC7H15FN2S
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NC(C)CF
InChIInChI=1S/C7H15FN2S/c1-5(2)9-7(11)10-6(3)4-8/h5-6H,4H2,1-3H3,(H2,9,10,11)
InChIKeyGLFLRTJLSKUZEE-UHFFFAOYSA-N
XLogP1.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.22
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'-Diethylthiourea
CID 2735009
Diisopropylthiourea
CID 2758386
Urea, 1-isopropyl-2-thio-
CID 1711921
1-Methyl-3-propyl-2-thiourea
CID 3690223
3,3-Dimethyl-1-(propan-2-yl)thiourea
CID 43384743
[(2S)-butan-2-yl]thiourea
CID 2432029
sec-Butyl-thiourea
CID 3346206
N-Ethyl-N'-methylthiourea
CID 15568242
1-Cyclopropyl-3-methylthiourea
CID 19650396
1,3-Bis(2-fluoroethyl)thiourea
CID 13084944
1-Ethyl-3-propylthiourea
CID 2775224
1-Propyl-3-(2,2,2-trifluoroethyl)thiourea
CID 54347107

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea (CID 131067285) is 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea is CC(C)NC(=S)NC(C)CF.
What is the InChIKey of 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea?
The InChIKey is GLFLRTJLSKUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2S/c1-5(2)9-7(11)10-6(3)4-8/h5-6H,4H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea?
1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea has a molecular weight of 178.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yl)-3-propan-2-ylthiourea is sourced from PubChem (CID 131067285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).