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- ChemComp-02T: 1-(3-methylthiophen-2-yl)methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: 02T
NameName: 1-(3-methylthiophen-2-yl)methanamine

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Chemical information

Composition
Formula: C6H9NS / Number of atoms: 17 / Formula weight: 127.207 / Formal charge: 0
Others

3oev

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 02T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3OEV
History
Create componentJun 27, 2011
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01s1c(c(cc1)C)CN
CACTVS 3.370Cc1ccsc1CN
OpenEye OEToolkits 1.7.2Cc1ccsc1CN

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SMILES CANONICAL

CACTVS 3.370Cc1ccsc1CN
OpenEye OEToolkits 1.7.2Cc1ccsc1CN

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InChI

InChI 1.03InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3

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InChIKey

InChI 1.03SWZNXCABBUKIPZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(3-methylthiophen-2-yl)methanamine
OpenEye OEToolkits 1.7.2(3-methylthiophen-2-yl)methanamine

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PDB entries

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