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Home> Hot Product Listed T   > Thiourea,N-phenyl-N'-(4-thiazolylmethoxy)-
56632-83-8 structure

Thiourea,N-phenyl-N'-(4-thiazolylmethoxy)-

Iupac Name:4-amino-1-[(2R,3S,4R,
5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CAS No.:56632-83-8
Molecular Weight:245.207683
Molecular Formula:C8H4CLN3O2S2 (isomer)
Names and Identifiers
Synonyms

1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea 1-phenyl-3-(4-thiazolylmethoxy)-2-thiourea 1-phenyl-3-(4-thiazolylmethoxy)thiourea 1-phenyl-3-(thiazol-4-ylmethoxy)-2-thiourea brn 1126272 DTXSID60179584 HE286495 HE328578 KB-219672 LS-160659 nsc 119182 nsc119182 nsc-119182 urea, 1-phenyl-3-(4-thiazolylmethoxy)-2-thio- Urea,1-phenyl-3-(4-thiazolylmethoxy)-2-thio- (8CI) ZINC6095665

Inchi
InChI=1/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1
Canonical Smiles
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F
Isomers Smiles
C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
Properties
Density
1.501
Refractive Index
1.697
Flash Point
182.2°C
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:245.207683g/mol
  • Molecular Formula:C8H4CLN3O2S2
  • XLogP3-AA:_1.1
  • Exact Mass:245.081184
  • Monoisotopic Mass:245.081184
  • Complexity:386
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:108
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:4
  • 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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