1-(3-cyclohexylprop-2-enyl)-1-methylthiourea

C11H20N2S — CID 165175605

IUPAC1-(3-cyclohexylprop-2-enyl)-1-methylthiourea
SMILESCN(CC=CC1CCCCC1)C(N)=S
InChIInChI=1S/C11H20N2S/c1-13(11(12)14)9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3,(H2,12,14)
InChIKeyNCIBZUCOFXPEAR-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.30
Rot. Bonds3

About 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea

1-(3-cyclohexylprop-2-enyl)-1-methylthiourea (PubChem CID 165175605) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea.

Molecular Properties

Compound Name1-(3-cyclohexylprop-2-enyl)-1-methylthiourea
PubChem CID165175605
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(3-cyclohexylprop-2-enyl)-1-methylthiourea
SMILESCN(CC=CC1CCCCC1)C(N)=S
InChIInChI=1S/C11H20N2S/c1-13(11(12)14)9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3,(H2,12,14)
InChIKeyNCIBZUCOFXPEAR-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea?
The IUPAC name of 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea (CID 165175605) is 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea.
What is the SMILES notation for 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea?
The canonical SMILES for 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea is CN(CC=CC1CCCCC1)C(N)=S.
What is the InChIKey of 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea?
The InChIKey is NCIBZUCOFXPEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-13(11(12)14)9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3,(H2,12,14).
What are the key properties of 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea?
1-(3-cyclohexylprop-2-enyl)-1-methylthiourea has a molecular weight of 212.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylprop-2-enyl)-1-methylthiourea is sourced from PubChem (CID 165175605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).