2,4-Quinazolinedithiol
Basic information
- CAS
5993-69-1- Standard SMILES
S=c1[nH]c(=S)c2ccccc2[nH]1- InChIKey
ZIOAGVULHUBXBS-UHFFFAOYSA-N- Molecular formula
- C8H6N2S2
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 193.99724055
Names & identifiers
- Preferred name
- 2,4-Quinazolinedithiol
- IUPAC
- 1H-quinazoline-2,4-dithione
- English name
- QUINAZOLINE-2,4(1H,3H)-DITHIONE
- Molecular formula
- C8H6N2S2
- Molecular weight
- 0
Names & synonyms
5993-69-12,4-QuinazolinedithiolDTXSID40351265RefChem:246958DTXCID20302331quinazoline-2,4(1H,3H)-dithionequinazoline-2,4-dithiol1H-quinazoline-2,4-dithione1,2,3,4-tetrahydroquinazoline-2,4-dithione2-Sulfanyl-3,4-dihydroquinazoline-4-thioneChinazolindithionNSC36082
Show more names
2,4-dimercaptoquinazolineSCHEMBL2680080SCHEMBL9204546ZIOAGVULHUBXBS-UHFFFAOYSA-NHMS1761K13FAA99369CCG-47561NSC-36082
Database identifiers
- CAS
5993-69-1- PubChem CID
- 695079
- DTXSID
DTXSID40351265- Nikkaji
- J1.611.166J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-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-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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