(Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione

C12H15NS — CID 134891502

IUPAC(Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione
SMILESCc1ccc(C(=S)/C=C\N(C)C)cc1
InChIInChI=1S/C12H15NS/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3/h4-9H,1-3H3/b9-8-
InChIKeyOOXQUMOHYKJDGO-HJWRWDBZSA-N
MW205.33 g/mol
LogP2.79
Rot. Bonds3

About (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione

(Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione (PubChem CID 134891502) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione
PubChem CID134891502
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name(Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione
SMILESCc1ccc(C(=S)/C=C\N(C)C)cc1
InChIInChI=1S/C12H15NS/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3/h4-9H,1-3H3/b9-8-
InChIKeyOOXQUMOHYKJDGO-HJWRWDBZSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione?
The IUPAC name of (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione (CID 134891502) is (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione?
The canonical SMILES for (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione is Cc1ccc(C(=S)/C=C\N(C)C)cc1.
What is the InChIKey of (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione?
The InChIKey is OOXQUMOHYKJDGO-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H15NS/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3/h4-9H,1-3H3/b9-8-.
What are the key properties of (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione?
(Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione has a molecular weight of 205.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-ene-1-thione is sourced from PubChem (CID 134891502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).