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Basic information
- CAS
4702-25-4- Standard SMILES
S=c1[nH]ccc2ccccc12- InChIKey
IOYIDSMWPLNHRC-UHFFFAOYSA-N- Molecular formula
- C9H7NS
- Average molar mass
- 161.229 g/mol
- Monoisotopic mass
- 161.02992022
Names & identifiers
- Preferred name
- Isoquinoline-1-thiol
- IUPAC
- Isoquinoline-1(2H)-thione
- English name
- Isoquinolin-1-thione
- Molecular formula
- C9H7NS
- Molecular weight
- 161.22
Names & synonyms
Isoquinolin-1-thione1(2H)-IsoquinolinethioneIsoquinoline-1(4H)-thione
Database identifiers
- CAS
4702-25-4- PubChem CID
- 3328366
- DTXSID
DTXSID60391502- ChEMBL
CHEMBL1882930- UNII
- LXH4BY2Y7J
- EC Number
- 893-078-8
- Nikkaji
- J338.221D
Properties
Physicochemical properties
- Melting point
- 102.5 · 102.5-103.5 °C
- Boiling point
- 273.2 · 273.2±43.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 11.06 · 11.06±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers3 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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