(1-ethoxy-2-phenylsulfanylethylidene)azanium

C10H14NOS+ — CID 135039457

IUPAC(1-ethoxy-2-phenylsulfanylethylidene)azanium
SMILESCCOC(=[NH2+])CSc1ccccc1
InChIInChI=1S/C10H13NOS/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3/p+1
InChIKeyJIPNBYWPSUFDRR-UHFFFAOYSA-O
MW196.30 g/mol
LogP0.97
Rot. Bonds4

About (1-ethoxy-2-phenylsulfanylethylidene)azanium

(1-ethoxy-2-phenylsulfanylethylidene)azanium (PubChem CID 135039457) has the molecular formula C10H14NOS+ and a molecular weight of 196.30 g/mol. Its IUPAC name is (1-ethoxy-2-phenylsulfanylethylidene)azanium.

Molecular Properties

Compound Name(1-ethoxy-2-phenylsulfanylethylidene)azanium
PubChem CID135039457
Molecular FormulaC10H14NOS+
Molecular Weight196.30 g/mol
Exact Mass196.08
IUPAC Name(1-ethoxy-2-phenylsulfanylethylidene)azanium
SMILESCCOC(=[NH2+])CSc1ccccc1
InChIInChI=1S/C10H13NOS/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3/p+1
InChIKeyJIPNBYWPSUFDRR-UHFFFAOYSA-O
XLogP0.97
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
1-Butoxy-2-phenylmercaptoethane
CID 271491
[(1-Methoxyethyl)sulfanyl]benzene
CID 13358293
2-(Phenylthio)ethyl vinyl ether
CID 14359038
Phenyl ethanimidothioate
CID 110191439
Ethyl 3-phenylsulfanylpropanimidate;hydrochloride
CID 134347985
2-Methoxyethyl phenyl sulfide
CID 4056174
[(Z)-2-ethoxyethenyl]sulfanylbenzene
CID 11073997
[[(E)-3-methoxyprop-2-enyl]thio]benzene
CID 11745239
1-Methoxybutylsulfanylbenzene
CID 12658871
2-methyl-6-(phenylsulfanylmethyl)-5,6-dihydro-4H-1,3-oxazine
CID 13835953
(r,s)-2-Methyl-5-phenylsulfanylmethyl-4,5-dihydro-oxazole
CID 14220961

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2-phenylsulfanylethylidene)azanium?
The IUPAC name of (1-ethoxy-2-phenylsulfanylethylidene)azanium (CID 135039457) is (1-ethoxy-2-phenylsulfanylethylidene)azanium.
What is the SMILES notation for (1-ethoxy-2-phenylsulfanylethylidene)azanium?
The canonical SMILES for (1-ethoxy-2-phenylsulfanylethylidene)azanium is CCOC(=[NH2+])CSc1ccccc1.
What is the InChIKey of (1-ethoxy-2-phenylsulfanylethylidene)azanium?
The InChIKey is JIPNBYWPSUFDRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13NOS/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3/p+1.
What are the key properties of (1-ethoxy-2-phenylsulfanylethylidene)azanium?
(1-ethoxy-2-phenylsulfanylethylidene)azanium has a molecular weight of 196.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2-phenylsulfanylethylidene)azanium is sourced from PubChem (CID 135039457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).