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(E/Z)-methyl N'-nitrocarbamimidothioate

HCID 413384
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CSC(N)=N[N+](=O)[O-]
InChIKey
FLZZNZJENFNFOJ-UHFFFAOYSA-N
Molecular formula
C2H5N3O2S
Average molar mass
135.15 g/mol

Names & identifiers

Preferred name
(E/Z)-methyl N'-nitrocarbamimidothioate
IUPAC
methyl N'-nitrocarbamimidothioate

Names & synonyms

(E/Z)-methyl N'-nitrocarbamimidothioateSCHEMBL1843227(E)-methyl N'-nitrocarbamimidothioateGS-1934N'-nitro(methylsulfanyl)methanimidamide

Database identifiers

PubChem CID
413384

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
117

Related reactions

6 records
New reaction record
HRID 150039 reaction equation
HRID 150039As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 728989 reaction equation
HRID 728989As reactantuspto-grants-1991_09
HRID 1091071 reaction equation
HRID 1091071As reactantuspto-grants-1992_01
HRID 1291932 reaction equation
HRID 1291932As reactantuspto-grants-1998_05
HRID 1590659 reaction equation
HRID 1590659As reactantuspto-grants-1993_04
HRID 2255062 reaction equation
HRID 2255062As reactantuspto-grants-1993_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes