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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
50-44-2 structure

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

CAS No.:50-44-2
Molecular Weight:152.17706
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/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChkey
GLVAUDGFNGKCSF-UHFFFAOYSA-N
Canonical Smiles
C1=NC2=C(N1)C(=S)N=CN2
Properties
Melting Point
>313C
Refractive Index
1.828
Safety and Handling
HazardClass
6.1(b)
Hazard Note
H301
PackingGroup
III
Transport
HAZARD
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:152.17706g/mol
  • Molecular Formula:C10H13CLN2
  • XLogP3-AA:0
  • Exact Mass:152.015667
  • Monoisotopic Mass:152.015667
  • Complexity:190
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:85.2
  • Heavy Atom Count:10
  • 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:1
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Recommended Suppliers
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  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87396430
  • Fax:86-571-87396431
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