Chemical Components in the PDB

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A1H0G : Summary

Code

A1H0G

One-letter code

X

Molecule name

1-benzothiophen-5-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-benzothiophen-5-amine

Formula

C8 H7 N S

Formal charge

0

Molecular weight

149.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ccc2sccc2c1
SMILES OpenEye OEToolkits 2.0.7 c1cc2c(ccs2)cc1N
Canonical SMILES CACTVS 3.385 Nc1ccc2sccc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(ccs2)cc1N

IUPAC InChI

InChI=1S/C8H7NS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2

IUPAC InChI key

ZUPYTANKWDPRDP-UHFFFAOYSA-N
A1H0G

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-12-15

Last modified at

2024-06-14

Status

Released

Obsoleted

Not Assigned