1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione

C16H15NS2 — CID 14817511

IUPAC1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione
SMILESCN(C)c1ccc(C(=S)C(=S)c2ccccc2)cc1
InChIInChI=1S/C16H15NS2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyLFMLMWGNMPMFHM-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione

1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione (PubChem CID 14817511) has the molecular formula C16H15NS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione
PubChem CID14817511
Molecular FormulaC16H15NS2
Molecular Weight285.44 g/mol
Exact Mass285.06
IUPAC Name1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione
SMILESCN(C)c1ccc(C(=S)C(=S)c2ccccc2)cc1
InChIInChI=1S/C16H15NS2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyLFMLMWGNMPMFHM-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 102282703
CID 102282703
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
CID 5382979
bis((Z)-1-[4-(dimethylamino)phenyl]-2-phenylethene-1,2-dithiol);nickel
CID 155859224
O-methyl 4-(dimethylamino)benzenecarbothioate
CID 46872087
N,N-dimethylaniline;methanol
CID 143205399
N,N-dimethylaniline
CID 70392672
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;hydron
CID 174471199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione (CID 14817511) is 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione is CN(C)c1ccc(C(=S)C(=S)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione?
The InChIKey is LFMLMWGNMPMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione?
1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione has a molecular weight of 285.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione is sourced from PubChem (CID 14817511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).