[2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane

C14H18NS+ — CID 143788090

IUPAC[2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane
SMILESCC.[SH2+]c1ccccc1/N=C1\C=CC=CC1
InChIInChI=1S/C12H11NS.C2H6/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;1-2/h1-6,8-9,14H,7H2;1-2H3/p+1/b13-10+;
InChIKeyZRFJPCCHFYOMCJ-RSGUCCNWSA-O
MW232.37 g/mol
LogP3.67
Rot. Bonds1

About [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane

[2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane (PubChem CID 143788090) has the molecular formula C14H18NS+ and a molecular weight of 232.37 g/mol. Its IUPAC name is [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane.

Molecular Properties

Compound Name[2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane
PubChem CID143788090
Molecular FormulaC14H18NS+
Molecular Weight232.37 g/mol
Exact Mass232.12
IUPAC Name[2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane
SMILESCC.[SH2+]c1ccccc1/N=C1\C=CC=CC1
InChIInChI=1S/C12H11NS.C2H6/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;1-2/h1-6,8-9,14H,7H2;1-2H3/p+1/b13-10+;
InChIKeyZRFJPCCHFYOMCJ-RSGUCCNWSA-O
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1H-Phenothiazine
CID 15607651
3H-phenothiazine
CID 16019990
4aH-Phenothiazine
CID 16019991
3-methyl-2H-1,4-benzothiazine
CID 5200521
N-phenylhexan-3-imine
CID 11217542
2-({-1-Methyl-3-[(2-sulfanylphenyl)imino]butylidene}-amino)-1-benzenethiol
CID 12089730
Cyclohepta[b][1,4]benzothiazine
CID 13400362
2-Isothiocyanatobenzenethiol
CID 19387443
3-Iminophenothiazine
CID 71326204
Phenothiazin-5-ium bromide
CID 129774366
Phenothiazine-5-iumchloride
CID 129854900
(Dimethylamino)-phenothiazin-5-ium chloride
CID 129857147

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane?
The IUPAC name of [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane (CID 143788090) is [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane.
What is the SMILES notation for [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane?
The canonical SMILES for [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane is CC.[SH2+]c1ccccc1/N=C1\C=CC=CC1.
What is the InChIKey of [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane?
The InChIKey is ZRFJPCCHFYOMCJ-RSGUCCNWSA-O. The full InChI is InChI=1S/C12H11NS.C2H6/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;1-2/h1-6,8-9,14H,7H2;1-2H3/p+1/b13-10+;.
What are the key properties of [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane?
[2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane has a molecular weight of 232.37 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexa-2,4-dien-1-ylideneamino)phenyl]sulfanium;ethane is sourced from PubChem (CID 143788090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).