CNC(=N[N+](=O)[O-])SC
Name: methyl N-methyl-N'-nitrocarbamimidothioate
SMILES: CNC(=N[N+](=O)[O-])SC

Molecular Processing

Molecular formula
C3H7N3O2S
Molecular weight
149.17
Exact mass
149.0259
XLogP
0.12
TPSA
67.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
37

Supplementary Information

InChIKey: MCPDALPEUAUISM-UHFFFAOYSA-N
Synonyme
SCHEMBL78305051,2-dimethyl-3-nitroisothioureaN,S-dimethyl-N'-nitroisothioureaMCPDALPEUAUISM-UHFFFAOYSA-N1,2-dimethyl -3-nitroisothioureaS-methyl-N-nitro-N'-methyisothioureaS-methyl-N-methyl-N'-nitroisothioureas-methyl n-nitro-n'-methylcarbamimidothioate
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