chempirical

N-Nitro-S-methylisothiourea

C2H5N3O2SCAS 2986-25-6135.14 g/mol

Open in Covalent MOL file
SNHNHN+OO−
NitroSulfide

Properties

Molecular formula
C2H5N3O2S
Molar mass
135.14 g/mol
Exact mass
135.0102 Da
logP
0.07Crippen estimate
Polar surface area
79.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2986-25-6
SMILES
CSC(=N)N[N+](=O)[O-]
InChIKey
FLZZNZJENFNFOJ-UHFFFAOYSA-N
InChI
InChI=1S/C2H5N3O2S/c1-8-2(3)4-5(6)7/h1H3,(H2,3,4)

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Names and synonyms

1 names
  • N-Nitro-S-methyl isothiourea

Work with N-Nitro-S-methylisothiourea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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