1-benzothiophen-3-ylazanium chloride

C8H8ClNS — CID 167993215

IUPAC1-benzothiophen-3-ylazanium chloride
SMILES[Cl-].[NH3+]c1csc2ccccc12
InChIInChI=1S/C8H7NS.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-5H,9H2;1H
InChIKeyDDITYYPIADDMFF-UHFFFAOYSA-N
MW185.68 g/mol
LogP-1.22
Rot. Bonds

About 1-benzothiophen-3-ylazanium chloride

1-benzothiophen-3-ylazanium chloride (PubChem CID 167993215) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is 1-benzothiophen-3-ylazanium chloride.

Molecular Properties

Compound Name1-benzothiophen-3-ylazanium chloride
PubChem CID167993215
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC Name1-benzothiophen-3-ylazanium chloride
SMILES[Cl-].[NH3+]c1csc2ccccc12
InChIInChI=1S/C8H7NS.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-5H,9H2;1H
InChIKeyDDITYYPIADDMFF-UHFFFAOYSA-N
XLogP-1.22
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-ylazanium chloride?
The IUPAC name of 1-benzothiophen-3-ylazanium chloride (CID 167993215) is 1-benzothiophen-3-ylazanium chloride.
What is the SMILES notation for 1-benzothiophen-3-ylazanium chloride?
The canonical SMILES for 1-benzothiophen-3-ylazanium chloride is [Cl-].[NH3+]c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-ylazanium chloride?
The InChIKey is DDITYYPIADDMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-5H,9H2;1H.
What are the key properties of 1-benzothiophen-3-ylazanium chloride?
1-benzothiophen-3-ylazanium chloride has a molecular weight of 185.68 g/mol, XLogP of -1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-ylazanium chloride is sourced from PubChem (CID 167993215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).