4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione

C13H15NS2 — CID 12661900

IUPAC4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione
SMILESCN(C)C1=CC(=S)SC(c2ccccc2)C1
InChIInChI=1S/C13H15NS2/c1-14(2)11-8-12(16-13(15)9-11)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChIKeyZDYWZSQFNKSKER-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.64
Rot. Bonds2

About 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione

4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione (PubChem CID 12661900) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione.

Molecular Properties

Compound Name4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione
PubChem CID12661900
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC Name4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione
SMILESCN(C)C1=CC(=S)SC(c2ccccc2)C1
InChIInChI=1S/C13H15NS2/c1-14(2)11-8-12(16-13(15)9-11)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChIKeyZDYWZSQFNKSKER-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine
CID 12841896
(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione
CID 136721068
3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 14142764
6-tert-butyl-2-phenyl-2,3-dihydrothiopyran-4-one
CID 102383505
5-phenylthiolane-2-thione
CID 11095521
N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113467323
6-phenylthiane-2-thione
CID 100945824
4-methyl-2-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 11391140
(4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione
CID 24874214
(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
CID 101223989
3,5-diphenylthiolan-2-ol
CID 144931057
1-(6-methylsulfanyl-2-phenyl-2,3-dihydrothiopyran-4-ylidene)piperidin-1-ium
CID 134105076

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione?
The IUPAC name of 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione (CID 12661900) is 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione.
What is the SMILES notation for 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione?
The canonical SMILES for 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione is CN(C)C1=CC(=S)SC(c2ccccc2)C1.
What is the InChIKey of 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione?
The InChIKey is ZDYWZSQFNKSKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-14(2)11-8-12(16-13(15)9-11)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione?
4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione has a molecular weight of 249.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione is sourced from PubChem (CID 12661900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).