[naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide

C16H14BrNS2 — CID 10761259

IUPAC[naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide
SMILES[Br-].[NH2+]=C(SCc1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C16H13NS2.BrH/c17-16(15-6-3-9-18-15)19-11-12-7-8-13-4-1-2-5-14(13)10-12;/h1-10,17H,11H2;1H
InChIKeyJNXVDHUKRXSIDL-UHFFFAOYSA-N
MW364.33 g/mol
LogP0.34
Rot. Bonds3

About [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide

[naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide (PubChem CID 10761259) has the molecular formula C16H14BrNS2 and a molecular weight of 364.33 g/mol. Its IUPAC name is [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide.

Molecular Properties

Compound Name[naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide
PubChem CID10761259
Molecular FormulaC16H14BrNS2
Molecular Weight364.33 g/mol
Exact Mass362.98
IUPAC Name[naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide
SMILES[Br-].[NH2+]=C(SCc1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C16H13NS2.BrH/c17-16(15-6-3-9-18-15)19-11-12-7-8-13-4-1-2-5-14(13)10-12;/h1-10,17H,11H2;1H
InChIKeyJNXVDHUKRXSIDL-UHFFFAOYSA-N
XLogP0.34
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 50.34
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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Frequently Asked Questions

What is the IUPAC name of [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide?
The IUPAC name of [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide (CID 10761259) is [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide.
What is the SMILES notation for [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide?
The canonical SMILES for [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide is [Br-].[NH2+]=C(SCc1ccc2ccccc2c1)c1cccs1.
What is the InChIKey of [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide?
The InChIKey is JNXVDHUKRXSIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS2.BrH/c17-16(15-6-3-9-18-15)19-11-12-7-8-13-4-1-2-5-14(13)10-12;/h1-10,17H,11H2;1H.
What are the key properties of [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide?
[naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide has a molecular weight of 364.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [naphthalen-2-ylmethylsulfanyl(thiophen-2-yl)methylidene]azanium bromide is sourced from PubChem (CID 10761259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).