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Home> Hot Product Listed T   > Thiazolidine,2,5-dimethyl-2-phenyl-
27025-41-8 structure

Thiazolidine,2,5-dimethyl-2-phenyl-

CAS No.:27025-41-8
EINECS(EC#): 211-341-1; 268-105-6
Molecular Weight:612.63108
Molecular Formula:C11H19N4O3S3TC (isomer)
Names and Identifiers
Synonyms

2,5-dimethyl-2-phenyl-1,3-thiazolidine 2,5-dimethyl-2-phenylthiazolidine AC1MJ8OJ HE298888 LS-151280 thiazolidine, 2,5-dimethyl-2-phenyl-

Inchi
InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
Canonical Smiles
C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
Isomers Smiles
C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)
NCC(=O)O)[C@@H](C(=O)O)N
Properties
Density
0.873
Melting Point
178-182℃
Vapour
0mmHg at 25°C
Refractive Index
-105 ° (C=2, H2O)
Flash Point
°C
Alpha
-99 º (C=4, WATER)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
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:612.63108g/mol
  • Molecular Formula:C11H19N4O3S3TC
  • Exact Mass:612.151962
  • Monoisotopic Mass:612.151962
  • Complexity:879
  • Rotatable Bond Count:21
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:368
  • Heavy Atom Count:40
  • 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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