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1-(methylsulfanyl)-5-aci-nitropentane

MNXM10335 is deprecated and here replaced by MNXM1104995
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104995 Image of MNXM1104995
referencemetacycM:CPD-12392
formulaC6H13NO2S
global charge0
mol weight163.242
InChIKeyXWWGSEVYUBTSFS-UHFFFAOYSA-N
InChIInChI=1S/C6H13NO2S/c1-10-6-4-2-3-5-7(8)9/h5H,2-4,6H2,1H3,(H,8,9)
SMILESCSCCCC/C=[N+](\[O-])O
MNX internals
InChI (mnx)InChI=1/C6H13NO2S/c1-10-6-4-2-3-5-7(8)9/h5H,2-4,6H2,1H3,(H,8,9) Image of MNXM1104995
SMILES (mnx)[CH3:1][S:10][CH2:6][CH2:4][CH2:2][CH2:3][CH:5]=[N+:7]([O-:8])[OH:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-12392
metacycM:CPD-12392
XWWGSEVYUBTSFS-UHFFFAOYSA-N 		1-(methylsulfanyl)-5-aci-nitropentane
5-(methylsulfanyl)pentan-1-ylideneazinate