dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium

C10H12NO2S+ — CID 23271274

IUPACdimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium
SMILESC[S+](C)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12NO2S/c1-14(2)8-7-9-3-5-10(6-4-9)11(12)13/h3-8H,1-2H3/q+1/b8-7+
InChIKeyVKTQPAZBCXZQQJ-BQYQJAHWSA-N
MW210.28 g/mol
LogP2.44
Rot. Bonds3

About dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium

dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium (PubChem CID 23271274) has the molecular formula C10H12NO2S+ and a molecular weight of 210.28 g/mol. Its IUPAC name is dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium
PubChem CID23271274
Molecular FormulaC10H12NO2S+
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Namedimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium
SMILESC[S+](C)/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12NO2S/c1-14(2)8-7-9-3-5-10(6-4-9)11(12)13/h3-8H,1-2H3/q+1/b8-7+
InChIKeyVKTQPAZBCXZQQJ-BQYQJAHWSA-N
XLogP2.44
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
(E,2S)-4-(4-nitrophenyl)but-3-en-2-ol
CID 23730866
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid
CID 3730066
(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal
CID 92856070

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium?
The IUPAC name of dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium (CID 23271274) is dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium.
What is the SMILES notation for dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium?
The canonical SMILES for dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium is C[S+](C)/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium?
The InChIKey is VKTQPAZBCXZQQJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H12NO2S/c1-14(2)8-7-9-3-5-10(6-4-9)11(12)13/h3-8H,1-2H3/q+1/b8-7+.
What are the key properties of dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium?
dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium has a molecular weight of 210.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium is sourced from PubChem (CID 23271274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).