1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea

C9H18N2S — CID 15113019

IUPAC1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea
SMILESC=C(C)CNC(=S)NCC(C)C
InChIInChI=1S/C9H18N2S/c1-7(2)5-10-9(12)11-6-8(3)4/h8H,1,5-6H2,2-4H3,(H2,10,11,12)
InChIKeyFKUQKNJXJVQRKP-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea

1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea (PubChem CID 15113019) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea
PubChem CID15113019
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea
SMILESC=C(C)CNC(=S)NCC(C)C
InChIInChI=1S/C9H18N2S/c1-7(2)5-10-9(12)11-6-8(3)4/h8H,1,5-6H2,2-4H3,(H2,10,11,12)
InChIKeyFKUQKNJXJVQRKP-UHFFFAOYSA-N
XLogP1.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Methallyl-3-methyl-2-thiourea
CID 2724026
N,N'-Bis(2-methylpropyl)thiourea
CID 3035343
(2-Methylprop-2-en-1-yl)thiourea
CID 4538125
1-Tert-butyl-3-[2-[(tert-butylcarbamothioylamino)methyl]prop-2-enyl]thiourea
CID 86044271
Methallylisothiourea hydroiodide
CID 129816677
1-(2-Methylprop-2-enyl)-3-propylthiourea
CID 15113017
1-Butyl-3-(2-methylprop-2-enyl)thiourea
CID 15113018
1-Ethyl-1,3-bis(2-methylprop-2-enyl)thiourea
CID 15113024
1-Butyl-3-prop-2-enylthiourea
CID 3740742
N-(2-Methylpropyl)-N'-propylthiourea
CID 19650573
1,1-Dimethyl-3-(2-methylprop-2-enyl)thiourea
CID 43384744
1,3-Bis(2-methylprop-2-enyl)thiourea
CID 139999938

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea (CID 15113019) is 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea is C=C(C)CNC(=S)NCC(C)C.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea?
The InChIKey is FKUQKNJXJVQRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-7(2)5-10-9(12)11-6-8(3)4/h8H,1,5-6H2,2-4H3,(H2,10,11,12).
What are the key properties of 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea?
1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea has a molecular weight of 186.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 15113019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).