Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Pyrimidineaceticacid, 1,6-dihydro-4-methyl-2-[[4-(1-methylethoxy)phenyl]methyl]-6-oxo-
35600-34-1 structure

5-Pyrimidineaceticacid, 1,6-dihydro-4-methyl-2-[[4-(1-methylethoxy)phenyl]methyl]-6-oxo-

Iupac Name:methyl N'-aminocarbamimidothioate;hydroiodide
CAS No.:35600-34-1
Molecular Weight:233.071
Molecular Formula:C43H46O12 (isomer)
Names and Identifiers
Synonyms

[4-hydroxy-2-(4-isopropoxy-benzyl)-6-methyl-pyrimidin-5-yl]-acetic acid 2-[6-methyl-4-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1h-pyrimidin-5-yl]acetic acid 5-pyrimidineacetic acid, 6-hydroxy-2-(4-isopropoxybenzyl)-4-methyl- 5-Pyrimidineaceticacid, 1,4-dihydro-6-methyl-2-[[4-(1-methylethoxy)phenyl]methyl]-4-oxo- (9CI) 6-hydroxy-2-(4-isopropoxybenzyl)-4-methyl 5-pyrimidineacetic acid 6-hydroxy-2-(4-isopropoxybenzyl)-4-methyl-5-pyrimidineacetic acid AC1LFCV9 AC1Q694O AKOS000590666 AMBCB5648103 BAS 04880018 brn 0830517 CHEMBL1334566 DTXSID50214953 HMS1687I01 HMS2730G17 LS-134594 MLS000715493 MOLPORT-001-998-482 NCGC00245388-01 OPREA1_835121 smr000275472 ZINC5045283

Inchi
InChI=1S/C2H7N3S.HI/c1-6-2(3)5-4;/h4H2,1H3,(H2,3,5);1H
InChkey
NYMQJWVULPQXBK-UHFFFAOYSA-N
Canonical Smiles
CSC(=NN)N.I
Properties
Boiling Point
°Cat760mmHg
Refractive Index
1.607
Flash Point
200.2ºC
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:233.071g/mol
  • Molecular Formula:C43H46O12
  • Compound Is Canonicalized:True
  • Exact Mass:232.948
  • Monoisotopic Mass:232.948
  • Complexity:59.8
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:89.7A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBDAABAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAQYAAAAAAAAAACDAABCAAgg AAAAIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:0086-21-50563169
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:852-852-81916999
  • Fax:
  • Tel:33 2 98 42 46 50
  • Fax:33 2 98 42 44 02
  • Tel:44 161 406 0505
  • Fax:44 161 405 0506
Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:0086-21-50563169
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:852-852-81916999
  • Fax:
  • Tel:33 2 98 42 46 50
  • Fax:33 2 98 42 44 02
  • Tel:44 161 406 0505
  • Fax:44 161 405 0506
 
<