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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17N4O2S.Cl
Molecular Weight 364.85
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLENE GREEN

SMILES

[Cl-].CN(C)C1=CC=C2N=C3C=CC(N(C)C)=C(C3=[S+]C2=C1)[N+]([O-])=O

InChI

InChIKey=YYGBVRCTHASBKD-UHFFFAOYSA-M
InChI=1S/C16H17N4O2S.ClH/c1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22;/h5-9H,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H17N4O2S
Molecular Weight 329.397
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
F1IO2ZP7BU
Record Status Validated (UNII)
Record Version