Structural Complex
Chemical ID: HVQ
IUPAC Name: thiophen-3-ylmethylazanium
Formal Charge: 1
Type: NON-POLYMER
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccsc1
InChI: InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C5 H8 N S
Molecular weight: 114.189
Hydrogen Bond Acceptor: 1
Hydrogen Bond Donor: 1
Rotatable Bonds: 2
Heavy Atoms: 7
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.6 thiophen-3-ylmethylazanium
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1
InChIKey InChI 1.03 DUDAKCCDHRNMDJ-UHFFFAOYSA-O
SMILES_CANONICAL CACTVS 3.385 [NH3+]Cc1cscc1
SMILES CACTVS 3.385 [NH3+]Cc1cscc1
SMILES_CANONICAL OpenEye OEToolkits 2.0.6 c1cscc1C[NH3+]
SMILES OpenEye OEToolkits 2.0.6 c1cscc1C[NH3+]
Chemical Database Mapping
Database Reference ID
PubChem 4328338
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