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Basic information
- Standard SMILES
CSC(=C[N+](=O)[O-])NCCSCc1nc(C)cs1- InChIKey
JZGJFYZYPXVEFJ-UHFFFAOYSA-N- Molecular formula
- C10H15N3O2S3
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.03264025
Names & identifiers
- Preferred name
- 1-Nitro-2-methylthio-2-{2-[(4-methylthiazol-2-yl)methylthio]ethylamino}ethylene
- IUPAC
- 1-methylsulfanyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]ethyl]-2-nitroethenamine
Names & synonyms
SCHEMBL11491518JZGJFYZYPXVEFJ-UHFFFAOYSA-N1-nitro-2-methylthio-2-{2-[(4-methylthiazol-2-yl)methylthio]ethylamino}ethylene
Database identifiers
- PubChem CID
- 70596261
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
1 records
Compound notes
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