Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others
F0539-1508 structure
F0539-1508 structure

F0539-1508

Iupac Name:1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea
CAS No.: 66871-56-5
Molecular Weight:256.73188
Modify Date.: 2022-03-24 09:18
1. Names and Identifiers
1.1 Name
F0539-1508
1.2 Synonyms

AC1N2XEA AKOS024581613 MCULE-5674510394 methyl 6-acetyl-2-(4-((3,4-dihydroquinolin-1(2h)-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate methyl 6-acetyl-2-[[4-(3,4-dihydro-2h-quinolin-1-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4h-thieno[2,3-c]pyridine-3-carboxylate MOLPORT-003-022-643 OPREA1_144723 sr-01000569270 SR-01000569270-1 ZINC3007262

1.3 CAS No.
66871-56-5
1.4 CID
47510
1.5 Molecular Formula
C19H11F5N2O3S (isomer)
1.6 Inchi
InChI=1S/C11H16N4O/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)
1.7 InChkey
RRHJHSBDJDZUGL-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N
1.9 Isomers Smiles
CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N
2. Properties
3.1 Refractive index
1.578
3.1 Precise Quality
220.13200
3.1 PSA
77.01000
3.1 logP
2.53360
3. 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

4. Computational chemical data
  • Molecular Weight: 256.73188g/mol
  • Molecular Formula: C19H11F5N2O3S
  • Compound Is Canonicalized: True
  • XLogP3-AA: 1.6
  • Exact Mass: 220.13241115
  • Monoisotopic Mass: 220.13241115
  • Complexity: 267
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 79.5
  • Heavy Atom Count: 16
  • 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
5. Recommended Suppliers
Global2SuppliersView all >>
  • Tel:+1-857-366-7588
Lidamidine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 500 USD/gram
  • Time: 2019/02/25
Inquire
  • Tel:+1-317 644 0862
UREA, N-(2,6-DIMETHYLPHENYL)-N'-[IMINO(METHYLAMINO)METHYL]-
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire