Basic information
- CAS
61254-33-9- Standard SMILES
CSC(=C(C#N)C#N)N1CC1- InChIKey
ZXBWBHCGTIPSAT-UHFFFAOYSA-N- Molecular formula
- C7H7N3S
- Average molar mass
- 165.22 g/mol
- Monoisotopic mass
- 165.03606841
Names & identifiers
- Preferred name
- [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile
- IUPAC
- 2-[aziridin-1-yl(methylsulfanyl)methylidene]propanedinitrile
Names & synonyms
61254-33-9NSC270031DTXSID70313417[(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrileNSC-270031
Database identifiers
- CAS
61254-33-9- PubChem CID
- 320896
- DTXSID
DTXSID70313417- Nikkaji
- J1.179.700H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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