1-methyl-1-phenyl-3-prop-2-enylthiourea

C11H14N2S — CID 13360327

IUPAC1-methyl-1-phenyl-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N(C)c1ccccc1
InChIInChI=1S/C11H14N2S/c1-3-9-12-11(14)13(2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,12,14)
InChIKeyZWZIVMWCEWPLNX-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.18
Rot. Bonds3

About 1-methyl-1-phenyl-3-prop-2-enylthiourea

1-methyl-1-phenyl-3-prop-2-enylthiourea (PubChem CID 13360327) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-1-phenyl-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-methyl-1-phenyl-3-prop-2-enylthiourea
PubChem CID13360327
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-methyl-1-phenyl-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N(C)c1ccccc1
InChIInChI=1S/C11H14N2S/c1-3-9-12-11(14)13(2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,12,14)
InChIKeyZWZIVMWCEWPLNX-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.18
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

3-butyl-1-methyl-1-phenylthiourea
CID 23446602
1-methyl-1-phenyl-2-prop-2-enylhydrazine
CID 134935015
N,N-bis(prop-2-enylamino)aniline
CID 70255939
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-prop-2-enylthiourea
CID 8742724
[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2685461
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
1-methyl-1-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-3-phenylthiourea
CID 23446596
4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202165
3-ethenyl-1-methyl-1-phenylurea
CID 108909168
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333
1-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1-phenylthiourea
CID 8620096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-3-prop-2-enylthiourea?
The IUPAC name of 1-methyl-1-phenyl-3-prop-2-enylthiourea (CID 13360327) is 1-methyl-1-phenyl-3-prop-2-enylthiourea.
What is the SMILES notation for 1-methyl-1-phenyl-3-prop-2-enylthiourea?
The canonical SMILES for 1-methyl-1-phenyl-3-prop-2-enylthiourea is C=CCNC(=S)N(C)c1ccccc1.
What is the InChIKey of 1-methyl-1-phenyl-3-prop-2-enylthiourea?
The InChIKey is ZWZIVMWCEWPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-9-12-11(14)13(2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,12,14).
What are the key properties of 1-methyl-1-phenyl-3-prop-2-enylthiourea?
1-methyl-1-phenyl-3-prop-2-enylthiourea has a molecular weight of 206.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-3-prop-2-enylthiourea is sourced from PubChem (CID 13360327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).