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Home> Hot Product Listed 3   > 3-(3,5-dimethylphenyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1h)-one
12536-65-1 structure

3-(3,5-dimethylphenyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1h)-one

Iupac Name:trizinc;diborate
CAS No.:12536-65-1
Molecular Weight:383.41
Molecular Formula:C10H13CLN2 (isomer)
Names and Identifiers
Synonyms

3-(3,5-dimethylphenyl)-2-sulfanylidene-1h,2h,3h,4h-thieno[3,2-d]pyrimidin-4-one 3-(3,5-dimethylphenyl)-2-sulfanylidene-1h-thieno[3,2-d]pyrimidin-4-one AKOS005720390 AKOS005887329 BBL004639 BS-5222 H5884 HTS000846 KS-00003IE6 MCULE-9642113155 mfcd17780076 MOLPORT-019-722-652 STL124513 ZINC100020561

Inchi
InChI=1S/2BO3.3Zn/c2*2-1(3)4;;;/q2*-3;3*+2
InChkey
BIKXLKXABVUSMH-UHFFFAOYSA-N
Canonical Smiles
B([O-])([O-])[O-].B([O-])([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
Properties
Melting Point
980 deg C
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:383.41g/mol
  • Molecular Formula:C10H13CLN2
  • Compound Is Canonicalized:True
  • Exact Mass:311.772
  • Monoisotopic Mass:309.776
  • Complexity:8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:138A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:5
  • CACTVS Substructure Key Fingerprint: AAADcQMAOAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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