Basic information
- CAS
37123-75-4- Standard SMILES
N#Cc1c(N)sc2c1CCSC2- InChIKey
FIVRDZOZCYROTQ-UHFFFAOYSA-N- Molecular formula
- C8H8N2S2
- Average molar mass
- 196.3 g/mol
- Monoisotopic mass
- 196.01289061
Names & identifiers
- Preferred name
- 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile
- IUPAC
- 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile
Names & synonyms
37123-75-42-amino-4H,5H,7H-thieno[2,3-c]thiopyran-3-carbonitrile2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrileRefChem:464395873-714-02-Amino-4,5-dihydro-7H-thieno[2,3-c]thiopyran-3-carbonitrile2-Amino-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carbonitrile2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrileFIVRDZOZCYROTQ-UHFFFAOYSA-NAKOS009988972AT31906EN300-1261580
Show more names
AE-641/092110402-Amino-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carbonitrile #
Database identifiers
- CAS
37123-75-4- PubChem CID
- 607253
- EC Number
- 873-714-0
- Nikkaji
- J3.432.944C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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