2-Mercapto-3-(3-methoxy-phenyl)-3h-quinazolin-4-one
Basic information
- CAS
56671-19-3- Standard SMILES
COc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1- InChIKey
MZGPCTQOUIEHPZ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2S
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.0619488
Names & identifiers
- Preferred name
- 2-Mercapto-3-(3-methoxy-phenyl)-3h-quinazolin-4-one
- IUPAC
- 3-(3-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
- English name
- 2-Mercapto-3-(3-methoxy-phenyl)-3H-quinazolin-4-one
- Molecular formula
- C15H12N2O2S
- Molecular weight
- 284.33
Names & synonyms
56671-19-32-mercapto-3-(3-methoxy-phenyl)-3h-quinazolin-4-one3-(3-Methoxyphenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone3-(3-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one3-(3-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-oneMFCD019345653-(3-methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one2-Mercapto-3-(3-methoxyphenyl)quinazolin-4(3H)-one3-(3-methoxyphenyl)-2-sulfanylquinazolin-4(3H)-one3-(3-Methoxyphenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one3-(3-methoxyphenyl)-2-sulfanyl-3-hydroquinazolin-4-oneNSC343601
Show more names
4(1H)-Quinazolinone, 2,3-dihydro-3-(3-methoxyphenyl)-2-thioxo-
3-(3-METHOXYPHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONEOprea1_206780Oprea1_700159MLS001002019SCHEMBL6276511SCHEMBL9670550CHEMBL1380643DTXSID40351740
Database identifiers
- CAS
56671-19-3- PubChem CID
- 708274
- DTXSID
DTXSID40351740- ChEMBL
CHEMBL1380643- Nikkaji
- J2.606.648D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Melting point
- 291 · 291~293℃
- form
- solid
- InChI
- 1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)17-14(18)12-7-2-3-8-13(12)16-15(17)20/h2-9H,1H3,(H,16,20)
- InChIKey
- MZGPCTQOUIEHPZ-UHFFFAOYSA-N
- SMILES
- S=C1N(C2=CC=CC(OC)=C2)C(C3=CC=CC=C3N1)=O
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 280 · P280-P301+P312+P330-P305+P351+P338-P337+P313
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933599590 · 2933599590
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
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
- wgk
- WGK 3
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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