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1-(methylsulfanyl)-4-aci-nitrobutane

MNXM10222 is deprecated and here replaced by MNXM1104979
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104979 Image of MNXM1104979
referencemetacycM:CPD-12389
formulaC5H11NO2S
global charge0
mol weight149.215
InChIKeyKZCTZQMFYMYSGR-UHFFFAOYSA-N
InChIInChI=1S/C5H11NO2S/c1-9-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3,(H,7,8)
SMILESCSCCC/C=[N+](\[O-])O
MNX internals
InChI (mnx)InChI=1/C5H11NO2S/c1-9-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3,(H,7,8) Image of MNXM1104979
SMILES (mnx)[CH3:1][S:9][CH2:5][CH2:3][CH2:2][CH:4]=[N+:6]([O-:7])[OH:8]
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-12389
metacycM:CPD-12389
KZCTZQMFYMYSGR-UHFFFAOYSA-N 		1-(methylsulfanyl)-4-aci-nitrobutane
4-(methylsulfanyl)butan-1-ylideneazinate