1-benzothiophen-2-amine;hydrochloride

C8H8ClNS — CID 66906726

IUPAC1-benzothiophen-2-amine;hydrochloride
SMILESCl.Nc1cc2ccccc2s1
InChIInChI=1S/C8H7NS.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5H,9H2;1H
InChIKeyXPPUOZUUOFQHKD-UHFFFAOYSA-N
MW185.68 g/mol
LogP2.91
Rot. Bonds

About 1-benzothiophen-2-amine;hydrochloride

1-benzothiophen-2-amine;hydrochloride (PubChem CID 66906726) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is 1-benzothiophen-2-amine;hydrochloride.

Molecular Properties

Compound Name1-benzothiophen-2-amine;hydrochloride
PubChem CID66906726
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC Name1-benzothiophen-2-amine;hydrochloride
SMILESCl.Nc1cc2ccccc2s1
InChIInChI=1S/C8H7NS.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5H,9H2;1H
InChIKeyXPPUOZUUOFQHKD-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89101949
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2-(1-benzothiophen-2-yl)benzene-1,3-diamine
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6-fluoro-1-benzothiophen-2-amine
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CID 58758653
1-benzothiophene-2-carbothioamide
CID 15166169
tris(1-benzothiophen-2-yl)borane
CID 102216523
N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride
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CID 3904659

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-amine;hydrochloride?
The IUPAC name of 1-benzothiophen-2-amine;hydrochloride (CID 66906726) is 1-benzothiophen-2-amine;hydrochloride.
What is the SMILES notation for 1-benzothiophen-2-amine;hydrochloride?
The canonical SMILES for 1-benzothiophen-2-amine;hydrochloride is Cl.Nc1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-amine;hydrochloride?
The InChIKey is XPPUOZUUOFQHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5H,9H2;1H.
What are the key properties of 1-benzothiophen-2-amine;hydrochloride?
1-benzothiophen-2-amine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-amine;hydrochloride is sourced from PubChem (CID 66906726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).