1-benzothiophen-3-ylmethanamine;hydrochloride

C9H10ClNS — CID 2776346

IUPAC1-benzothiophen-3-ylmethanamine;hydrochloride
SMILESCl.NCc1csc2ccccc12
InChIInChI=1S/C9H9NS.ClH/c10-5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6H,5,10H2;1H
InChIKeyMIAPJPCDRSPNPW-UHFFFAOYSA-N
MW199.71 g/mol
LogP2.78
Rot. Bonds1

About 1-benzothiophen-3-ylmethanamine;hydrochloride

1-benzothiophen-3-ylmethanamine;hydrochloride (PubChem CID 2776346) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 1-benzothiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-benzothiophen-3-ylmethanamine;hydrochloride
PubChem CID2776346
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name1-benzothiophen-3-ylmethanamine;hydrochloride
SMILESCl.NCc1csc2ccccc12
InChIInChI=1S/C9H9NS.ClH/c10-5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6H,5,10H2;1H
InChIKeyMIAPJPCDRSPNPW-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of 1-benzothiophen-3-ylmethanamine;hydrochloride (CID 2776346) is 1-benzothiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for 1-benzothiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for 1-benzothiophen-3-ylmethanamine;hydrochloride is Cl.NCc1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-ylmethanamine;hydrochloride?
The InChIKey is MIAPJPCDRSPNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS.ClH/c10-5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6H,5,10H2;1H.
What are the key properties of 1-benzothiophen-3-ylmethanamine;hydrochloride?
1-benzothiophen-3-ylmethanamine;hydrochloride has a molecular weight of 199.71 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 2776346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).