Basic information
- CAS
953892-11-0- Standard SMILES
N#Cc1c(-c2cccnc2)csc1N- InChIKey
CQFIZCKVLGNSNZ-UHFFFAOYSA-N- Molecular formula
- C10H7N3S
- Average molar mass
- 201.25 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-(pyridin-3-yl)thiophene-3-carbonitrile
- IUPAC
- 2-amino-4-pyridin-3-ylthiophene-3-carbonitrile
- English name
- 2-Amino-4-(pyridin-3-yl)thiophene-3-carbonitrile
- Molecular formula
- C10H7N3S
- Molecular weight
- 201.25
Names & synonyms
2-Amino-4-(pyridin-3-yl)thiophene-3-carbonitrile953892-11-02-amino-4-pyridin-3-ylthiophene-3-carbonitrileMFCD09727684BS-333462-amino-4-(3-pyridyl)thiophene-3-carbonitrile3-Thiophenecarbonitrile, 2-amino-4-(3-pyridinyl)-
Database identifiers
- CAS
953892-11-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 427.9 · 427.9±45.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 3.74 · 3.74±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
湖州澄博生物科技有限公司13626726938
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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