2-Methylprop-2-enyl thiocyanate
Basic information
- CAS
24309-27-1- Standard SMILES
C=C(C)CSC#N- InChIKey
YGXLECDXEUWSBL-UHFFFAOYSA-N- Molecular formula
- C5H7NS
- Average molar mass
- 113.18 g/mol
- Monoisotopic mass
- 113.0299204
Names & identifiers
- Preferred name
- 2-Methylprop-2-enyl thiocyanate
- IUPAC
- 2-methylprop-2-enyl thiocyanate
Names & synonyms
2-methylprop-2-enyl thiocyanate24309-27-1DTXSID10304940RefChem:263938DTXCID10256071NSC168447SCHEMBL90114562-methylprop-2-en-1-yl thiocyanateNSC-168447
Database identifiers
- CAS
24309-27-1- PubChem CID
- 297328
- DTXSID
DTXSID10304940
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 108
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Related reactions
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Compound notes
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