N-(2,3-Xylyl)cyanothioformamide
Basic information
- CAS
112507-24-1- Standard SMILES
Cc1cccc(NC(=S)C#N)c1C- InChIKey
SCZTXWNFTJWCSA-UHFFFAOYSA-N- Molecular formula
- C10H10N2S
- Average molar mass
- 190.27 g/mol
- Monoisotopic mass
- 190.0564695
Names & identifiers
- Preferred name
- N-(2,3-Xylyl)cyanothioformamide
- IUPAC
- 1-cyano-N-(2,3-dimethylphenyl)methanethioamide
- English name
- N-(2,3-Xylyl)cyanothioformamide
- Molecular formula
- C10H10N2S
- Molecular weight
- 190.26
Names & synonyms
N-(2,3-XYLYL)CYANOTHIOFORMAMIDERefChem:823888112507-24-1668-657-1AKOS0243372752',3'-Formoxylidide, 1-cyanothio- (6CI)
Database identifiers
- CAS
112507-24-1- PubChem CID
- 4091808
- EC Number
- 668-657-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 288 · 288.0±50.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 8.58 · 8.58±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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