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492 : Summary
Code ![](/pdbe/static/images/help.png)
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492
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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1-(2,2'-bithiophen-5-yl)methanamine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H9 N S2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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195.304 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
s2c(c1sc(cc1)CN)ccc2 |
SMILES
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CACTVS |
3.341 |
NCc1sc(cc1)c2sccc2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(sc1)c2ccc(s2)CN |
Canonical SMILES
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CACTVS |
3.341 |
NCc1sc(cc1)c2sccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(sc1)c2ccc(s2)CN |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FHYTVXBZSXZMGD-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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21 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2009-01-20
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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