[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride

C11H12ClN2OS+ — CID 131667569

IUPAC[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
SMILES[Cl-].[NH3+]c1ccc(C(=O)c2cccs2)cc1[NH3+]
InChIInChI=1S/C11H10N2OS.ClH/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10;/h1-6H,12-13H2;1H/p+1
InChIKeyYGKYNZQJYDDBQJ-UHFFFAOYSA-O
MW255.75 g/mol
LogP-2.27
Rot. Bonds2

About [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride

[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride (PubChem CID 131667569) has the molecular formula C11H12ClN2OS+ and a molecular weight of 255.75 g/mol. Its IUPAC name is [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride.

Molecular Properties

Compound Name[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
PubChem CID131667569
Molecular FormulaC11H12ClN2OS+
Molecular Weight255.75 g/mol
Exact Mass255.04
IUPAC Name[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
SMILES[Cl-].[NH3+]c1ccc(C(=O)c2cccs2)cc1[NH3+]
InChIInChI=1S/C11H10N2OS.ClH/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10;/h1-6H,12-13H2;1H/p+1
InChIKeyYGKYNZQJYDDBQJ-UHFFFAOYSA-O
XLogP-2.27
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 5-2.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
5-(thiophene-2-carbonyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 23341008
[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone
CID 66635446
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
[10-(thiophene-2-carbonyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-thiophen-2-ylmethanone
CID 102424318
(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82052946
(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82152491
oxido(thiophene-2-carbonyl)azanium
CID 141173864
[4-(1,1-dihydroxypropan-2-yl)phenyl]-thiophen-2-ylmethanone
CID 70586978

Frequently Asked Questions

What is the IUPAC name of [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride?
The IUPAC name of [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride (CID 131667569) is [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride.
What is the SMILES notation for [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride?
The canonical SMILES for [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride is [Cl-].[NH3+]c1ccc(C(=O)c2cccs2)cc1[NH3+].
What is the InChIKey of [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride?
The InChIKey is YGKYNZQJYDDBQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10N2OS.ClH/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10;/h1-6H,12-13H2;1H/p+1.
What are the key properties of [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride?
[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride has a molecular weight of 255.75 g/mol, XLogP of -2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride is sourced from PubChem (CID 131667569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).