MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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thiophenol

	Properties	Image
MNX_ID	MNXM87071
reference	chebi:48498
formula	C₆H₆S
global charge	0
mol weight	110.181
InChIKey	RMVRSNDYEFQCLF-UHFFFAOYSA-N
InChI	InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
SMILES	SC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:6]([SH:7])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48498 chebi:48498 RMVRSNDYEFQCLF-UHFFFAOYSA-N	thiophenol Phenylthiol benzenethiol mercaptobenzene phenyl mercaptan
hmdb:HMDB0033746 RMVRSNDYEFQCLF-UHFFFAOYSA-N	Benzenethiol FEMA 3616 Mercaptobenzene Phenyl mercaptan Phenylmercaptan Phenylthiol Sodium benzenethiolate Thiofenol Thiophenate Thiophenol Thiophenol, copper (+1) salt Thiophenol, potassium salt Thiophenol, sodium salt benzenethiol mercapto-Benzene thio-Phenol thiophenol
envipath:...4c277e318d56 envipathM:...4c277e318d56 RMVRSNDYEFQCLF-UHFFFAOYSA-N	compound 0045918
metacyc.compound:CPD-8132 metacycM:CPD-8132 seed.compound:cpd25053 seedM:cpd25053 RMVRSNDYEFQCLF-UHFFFAOYSA-M	thiophenol
hmdb:HMDB33746 seedM:M_cpd25053	secondary/obsolete/fantasy identifier