1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol

C18H22N2S2 — CID 72743774

IUPAC1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
SMILESCN(C)c1ccc(C(S)=C(S)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2S2/c1-19(2)15-9-5-13(6-10-15)17(21)18(22)14-7-11-16(12-8-14)20(3)4/h5-12,21-22H,1-4H3
InChIKeyINNMWOVVUPSCHL-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.50
Rot. Bonds4

About 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol

1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol (PubChem CID 72743774) has the molecular formula C18H22N2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol.

Molecular Properties

Compound Name1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
PubChem CID72743774
Molecular FormulaC18H22N2S2
Molecular Weight330.52 g/mol
Exact Mass330.12
IUPAC Name1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
SMILESCN(C)c1ccc(C(S)=C(S)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2S2/c1-19(2)15-9-5-13(6-10-15)17(21)18(22)14-7-11-16(12-8-14)20(3)4/h5-12,21-22H,1-4H3
InChIKeyINNMWOVVUPSCHL-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis((Z)-1-[4-(dimethylamino)phenyl]-2-phenylethene-1,2-dithiol);nickel
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[amino-[4-(dimethylamino)phenyl]methylidene]azanium
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4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
CID 69397190
CID 69397190
CID 102282703
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4-(dimethylamino)benzoic acid;hydrochloride
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4-(dimethylamino)benzoyl fluoride;ethane
CID 90963385
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2-[bis(2-hydroxypropan-2-yl)amino]propan-2-ol;4-(dimethylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol?
The IUPAC name of 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol (CID 72743774) is 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol.
What is the SMILES notation for 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol?
The canonical SMILES for 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol is CN(C)c1ccc(C(S)=C(S)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol?
The InChIKey is INNMWOVVUPSCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S2/c1-19(2)15-9-5-13(6-10-15)17(21)18(22)14-7-11-16(12-8-14)20(3)4/h5-12,21-22H,1-4H3.
What are the key properties of 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol?
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol has a molecular weight of 330.52 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol is sourced from PubChem (CID 72743774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).