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Home> Hot Product Listed R   > RTNGFYRLXWPJSW-UHFFFAOYSA-N
118113-05-6 structure

RTNGFYRLXWPJSW-UHFFFAOYSA-N

Iupac Name:5-methyl-2-piperazin-1-yl-1,3-thiazole
CAS No.:118113-05-6
Molecular Weight:183.273
Molecular Formula:C9H11CLN2O3 (isomer)
Names and Identifiers
Synonyms

4-chloro-n-(1-methyl-2-oxopentyl)benzenesulfonamide SCHEMBL3892571

Inchi
InChI=1S/C8H13N3S/c1-7-6-10-8(12-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChkey
QBAIDZGUOXGFNA-UHFFFAOYSA-N
Canonical Smiles
CC1=CN=C(S1)N2CCNCC2
Properties
Melting Point
37.5-52℃
Refractive Index
1.565
Safety and Handling
Risk Statements
25
Safety Statements
45
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:183.273g/mol
  • Molecular Formula:C9H11CLN2O3
  • Compound Is Canonicalized:True
  • Exact Mass:183.083
  • Monoisotopic Mass:183.083
  • Complexity:147
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:56.4A^2
  • Heavy Atom Count:12
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzAABAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAQQAAAACADBUgQvkRPIEAik ABBnZAAA8KlRCDhBUIwoQACAQABACQAUAAAIEALAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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