1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea

C11H20N2S — CID 15113024

IUPAC1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)N(CC)CC(=C)C
InChIInChI=1S/C11H20N2S/c1-6-13(8-10(4)5)11(14)12-7-9(2)3/h2,4,6-8H2,1,3,5H3,(H,12,14)
InChIKeyGPYDUPGTKMBCPP-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.34
Rot. Bonds5

About 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea

1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea (PubChem CID 15113024) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea
PubChem CID15113024
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)N(CC)CC(=C)C
InChIInChI=1S/C11H20N2S/c1-6-13(8-10(4)5)11(14)12-7-9(2)3/h2,4,6-8H2,1,3,5H3,(H,12,14)
InChIKeyGPYDUPGTKMBCPP-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
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

Thiourea, N,N-diethyl-N'-2-propen-1-yl-
CID 1810520
1-Methallyl-3-methyl-2-thiourea
CID 2724026
(2-Methylprop-2-en-1-yl)thiourea
CID 4538125
N-(2-Methyl-2-propen-1-yl)-1-piperazinecarbothioamide
CID 818280
(Diprop-2-enylamino)(ethylamino)methane-1-thione
CID 4110144
3-Methyl-1,1-bis(prop-2-enyl)thiourea
CID 4127837
Methallylisothiourea hydroiodide
CID 129816677
1-(2-Methylprop-2-enyl)-3-propylthiourea
CID 15113017
1-Butyl-3-(2-methylprop-2-enyl)thiourea
CID 15113018
N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide
CID 15113026
1,1-Dibutyl-3-prop-2-enylthiourea
CID 17265152
1,3-Dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea
CID 18716768

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea (CID 15113024) is 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)N(CC)CC(=C)C.
What is the InChIKey of 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea?
The InChIKey is GPYDUPGTKMBCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-6-13(8-10(4)5)11(14)12-7-9(2)3/h2,4,6-8H2,1,3,5H3,(H,12,14).
What are the key properties of 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea?
1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea has a molecular weight of 212.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-bis(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 15113024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).