(1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride

C16H18ClNS — CID 155926129

IUPAC(1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride
SMILESCCSC(=[NH2+])C(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C16H17NS.ClH/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12,15,17H,2H2,1H3;1H
InChIKeyOMTOAFQUXPRGHX-UHFFFAOYSA-N
MW291.85 g/mol
LogP-0.27
Rot. Bonds4

About (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride

(1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride (PubChem CID 155926129) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride.

Molecular Properties

Compound Name(1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride
PubChem CID155926129
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name(1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride
SMILESCCSC(=[NH2+])C(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C16H17NS.ClH/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12,15,17H,2H2,1H3;1H
InChIKeyOMTOAFQUXPRGHX-UHFFFAOYSA-N
XLogP-0.27
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride?
The IUPAC name of (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride (CID 155926129) is (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride.
What is the SMILES notation for (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride?
The canonical SMILES for (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride is CCSC(=[NH2+])C(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride?
The InChIKey is OMTOAFQUXPRGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS.ClH/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12,15,17H,2H2,1H3;1H.
What are the key properties of (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride?
(1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride has a molecular weight of 291.85 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfanyl-2,2-diphenylethylidene)azanium chloride is sourced from PubChem (CID 155926129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).