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Home> Hot Product Listed T   > Thiazole-5-d (7CI,8CI)
29094-61-9 structure

Thiazole-5-d (7CI,8CI)

CAS No.:29094-61-9
EINECS(EC#): 278-066-7
Molecular Weight:445.53518
Molecular Formula:C28H55NO5W2-6 (isomer)
Names and Identifiers
Synonyms

AC1O4D5D

Inchi
InChI=1/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)
Canonical Smiles
CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
Properties
Density
1.225
Melting Point
208-209°C
Boiling Point
433°Cat760mmHg
Refractive Index
1.597
Safety and Handling
Risk Statements
R21
Safety Statements
S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 29094-61-9 EC: 278-066-7 Thiazole-5-d (7CI,8CI) ·ECHA C&L Inventory for CAS: CAS: 29094-61-9 EC: 278-066-7 Thiazole-5-d (7CI,8CI)
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:445.53518g/mol
  • Molecular Formula:C28H55NO5W2-6
  • XLogP3-AA:1.9
  • Exact Mass:445.178375
  • Monoisotopic Mass:445.178375
  • Complexity:697
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:139
  • Heavy Atom Count:31
  • 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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