Diisothiocyanatomethane
Basic information
- CAS
13061-19-3- Standard SMILES
S=C=NCN=C=S- InChIKey
KVKKJNWIWXXVLK-UHFFFAOYSA-N- Molecular formula
- C3H2N2S2
- Average molar mass
- 130.2 g/mol
- Monoisotopic mass
- 129.96594042
Names & identifiers
- Preferred name
- Diisothiocyanatomethane
- IUPAC
- diisothiocyanatomethane
Names & synonyms
13061-19-3diisothiocyanatomethaneNSC43898SCHEMBL671212DTXSID00926832NSC-43898
Database identifiers
- CAS
13061-19-3- PubChem CID
- 239101
- DTXSID
DTXSID00926832- Nikkaji
- J246.576K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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