N-[2-(3-isothiazolylmethylthio)ethyl)-N'-methyl-N"-nitroguanidine

HCID 136353517

Notes Reactions

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Basic information

Standard SMILES: CNC(=N[N+](=O)[O-])NCCSCc1ccsn1
InChIKey: WEUICVBMMMBLIH-UHFFFAOYSA-N
Molecular formula: C8H13N5O2S2
Average molar mass: 275.4 g/mol

Names & identifiers

Preferred name: N-[2-(3-isothiazolylmethylthio)ethyl)-N'-methyl-N"-nitroguanidine
IUPAC: 1-methyl-2-nitro-3-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]guanidine

Names & synonyms

N-[2-(3-isothiazolylmethylthio)ethyl)-N'-methyl-N"-nitroguanidineN-[2-(3-isothiazolylmethylthio)ethyl]-N'-methyl-N"-nitroguanidineSCHEMBL11359978WEUICVBMMMBLIH-UHFFFAOYSA-NN-[2-(3-isothiazolylmethylthio)ethyl]-N' -methyl-N"-nitroguanidine

Database identifiers

PubChem CID: 136353517

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 149 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 271

Related reactions

15 records

New reaction record

HRID 27544As productuspto-grants-1980_09

HRID 262657As productuspto-grants-1979_05

HRID 847987As productuspto-grants-1981_10

HRID 903751As productuspto-grants-1980_10

HRID 1577241As productuspto-grants-1981_09

HRID 1605347As productuspto-grants-1976_04

HRID 1834623As productuspto-grants-1978_01

HRID 1974419As productuspto-grants-1976_12

Compound notes

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