Basic information
- CAS
2637-35-6- Standard SMILES
N#CSc1ccccn1- InChIKey
YHEHNPOOVXZEHL-UHFFFAOYSA-N- Molecular formula
- C6H4N2S
- Average molar mass
- 136.18 g/mol
- Monoisotopic mass
- 136.00951931
Names & identifiers
- Preferred name
- 2-Pyridinyl thiocyanate
- IUPAC
- pyridin-2-yl thiocyanate
Names & synonyms
2637-35-6Thiocyanic acid, 2-pyridyl esterDTXSID401809712-Pyridinyl thiocyanateRefChem:1064680DTXCID801034622-Thiocyanatopyridine2-Pyridyl thiocyanate(PYRIDIN-2-YLSULFANYL)FORMONITRILEpyridin-2-yl thiocyanateBRN 1423383pyridine thiocyanate
Show more names
cyanomercaptopyridine5-21-02-00041 (Beilstein Handbook Reference)SCHEMBL4070135YHEHNPOOVXZEHL-UHFFFAOYSA-NHS-6705
Database identifiers
- CAS
2637-35-6- PubChem CID
- 75835
- DTXSID
DTXSID40180971- Nikkaji
- J48.855K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Related reactions
1 records
Compound notes
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