1-benzothiophen-3-ylmethylazanium

C9H10NS+ — CID 6932047

IUPAC1-benzothiophen-3-ylmethylazanium
SMILES[NH3+]Cc1csc2ccccc12
InChIInChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2/p+1
InChIKeyWHTPXNOFEHTZAD-UHFFFAOYSA-O
MW164.25 g/mol
LogP1.64
Rot. Bonds1

About 1-benzothiophen-3-ylmethylazanium

1-benzothiophen-3-ylmethylazanium (PubChem CID 6932047) has the molecular formula C9H10NS+ and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-benzothiophen-3-ylmethylazanium.

Molecular Properties

Compound Name1-benzothiophen-3-ylmethylazanium
PubChem CID6932047
Molecular FormulaC9H10NS+
Molecular Weight164.25 g/mol
Exact Mass164.05
IUPAC Name1-benzothiophen-3-ylmethylazanium
SMILES[NH3+]Cc1csc2ccccc12
InChIInChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2/p+1
InChIKeyWHTPXNOFEHTZAD-UHFFFAOYSA-O
XLogP1.64
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzothiophen-2-ylmethylamine
CID 237074
Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
Jnj 26990990
CID 11687376
[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
1-(1-Benzothiophen-2-yl)cyclohexan-1-amine
CID 398415
1-Benzo[b]thiophen-2-yl-cycloheptylamine
CID 398365
(5-Bromobenzo[b]thiophen-3-yl)methanamine
CID 7537503
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
Benzo[b]thiophene-3-ethanamine
CID 26743
1-(1-Benzothiophen-2-yl)cyclopentan-1-amine
CID 398376
[5-(Aminomethyl)-1-benzothiophen-2-yl]boronic acid
CID 23655306

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-ylmethylazanium?
The IUPAC name of 1-benzothiophen-3-ylmethylazanium (CID 6932047) is 1-benzothiophen-3-ylmethylazanium.
What is the SMILES notation for 1-benzothiophen-3-ylmethylazanium?
The canonical SMILES for 1-benzothiophen-3-ylmethylazanium is [NH3+]Cc1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-ylmethylazanium?
The InChIKey is WHTPXNOFEHTZAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2/p+1.
What are the key properties of 1-benzothiophen-3-ylmethylazanium?
1-benzothiophen-3-ylmethylazanium has a molecular weight of 164.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-ylmethylazanium is sourced from PubChem (CID 6932047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).