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

C7H14N2S — CID 43384762

IUPAC1-ethyl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NCC
InChIInChI=1S/C7H14N2S/c1-4-8-7(10)9-5-6(2)3/h2,4-5H2,1,3H3,(H2,8,9,10)
InChIKeyUCXBXAUNROLDNJ-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.05
Rot. Bonds3

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

1-ethyl-3-(2-methylprop-2-enyl)thiourea (PubChem CID 43384762) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-methylprop-2-enyl)thiourea
PubChem CID43384762
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-ethyl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NCC
InChIInChI=1S/C7H14N2S/c1-4-8-7(10)9-5-6(2)3/h2,4-5H2,1,3H3,(H2,8,9,10)
InChIKeyUCXBXAUNROLDNJ-UHFFFAOYSA-N
XLogP1.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-methylprop-2-enyl)thiourea (CID 43384762) is 1-ethyl-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)NCC.
What is the InChIKey of 1-ethyl-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is UCXBXAUNROLDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-4-8-7(10)9-5-6(2)3/h2,4-5H2,1,3H3,(H2,8,9,10).
What are the key properties of 1-ethyl-3-(2-methylprop-2-enyl)thiourea?
1-ethyl-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 158.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 43384762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).