2-Chloro-3-(1,3-dithian-2-yl)pyrazine
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Basic information
- CAS
874114-28-0- Standard SMILES
Clc1nccnc1C1SCCCS1- InChIKey
OBZGHDUHUNPBBW-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2S2
- Average molar mass
- 232.8 g/mol
- Monoisotopic mass
- 231.9895683
Names & identifiers
- Preferred name
- 2-Chloro-3-(1,3-dithian-2-yl)pyrazine
- IUPAC
- 2-chloro-3-(1,3-dithian-2-yl)pyrazine
- English name
- Pyrazine, 2-chloro-3-(1,3-dithian-2-yl)-
- Molecular formula
- C8H9ClN2S2
- Molecular weight
- 232.75
Names & synonyms
2-CHLORO-3-(1,3-DITHIAN-2-YL)PYRAZINE874114-28-0DTXSID50725579RefChem:258461DTXCID40676324MFCD209261692-Chloro-3-[1,3]dithian-2-yl-pyrazineSCHEMBL18397618AKOS025290072PB28843AS-34398SY097542
Show more names
2-Chloro-3-(1,3-dithian-2...Pyrazine, 2-chloro-3-(1,3-dithian-2-yl)-
CS-0051978C8H9ClN2S2A862637ZJB114282-chloro-3-(13-dithian-2-yl)pyrazineF467837
Database identifiers
- CAS
874114-28-0- PubChem CID
- 57415892
- DTXSID
DTXSID50725579- Nikkaji
- J2.260.381G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 362 · 362.0±42.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- -2.46 · -2.46±0.10(Predicted)
- Appearance
- light brown solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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