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Home> Hot Product Listed M   > MOLPORT-005-338-920
1759-28-0 structure

MOLPORT-005-338-920

Iupac Name:5-ethenyl-4-methyl-1,3-thiazole
CAS No.:1759-28-0
Molecular Weight:125.189
Molecular Formula:C19H29N7O3S (isomer)
Names and Identifiers
Synonyms

2-{[(1,1-dioxo-1lambda6-thiolan-3-yl)carbamoyl]methoxy}-4-methylbenzoic acid MCULE-7073948364 T6789416 Z64760644

Inchi
InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3
InChkey
QUAMMXIRDIIGDJ-UHFFFAOYSA-N
Canonical Smiles
CC1=C(SC=N1)C=C
Properties
Melting Point
-15℃
Vapour
0.962mmHg at 25°C
Refractive Index
1.561-1.568
HS Code
29349990
Safety and Handling
Risk Statements
R20/21/22;R36/37/38
Safety Statements
S26;S36/37/39
HazardClass
6.1
Hazard Note
H302; H315; H319; H335
PackingGroup
III
Transport
HAZARD
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1759-28-0 EC: MOLPORT-005-338-920 ·ECHA C&L Inventory for CAS: CAS: 1759-28-0 EC: MOLPORT-005-338-920
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:125.189g/mol
  • Molecular Formula:C19H29N7O3S
  • Compound Is Canonicalized:True
  • Exact Mass:125.03
  • Monoisotopic Mass:125.03
  • Complexity:92.5
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.1A^2
  • Heavy Atom Count:8
  • 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: AAADcYBiAABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAQAAAAACAiBVgSGgRIIEAik ASRjRAAC8KBxCDgI2BQ4QAgIAABgAAAEAAAAgABAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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