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Home> Hot Product Listed 4   > 4-(5,5-BIS-HYDROXYMETHYL-4-OXO-4,5-DIHYDRO-THIAZOL-2-YLAMINO)-BENZOIC ACID
3458-28-4 structure

4-(5,5-BIS-HYDROXYMETHYL-4-OXO-4,5-DIHYDRO-THIAZOL-2-YLAMINO)-BENZOIC ACID

CAS No.:3458-28-4
Molecular Weight:180.15588
Molecular Formula:C6H14OS (isomer)
Names and Identifiers
Synonyms

3440AE 4-((5,5-bis(hydroxymethyl)-4-oxo-4,5-dihydrothiazol-2-yl)amino)benzoic acid 4-[[5,5-bis(hydroxymethyl)-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid 4-{[(2e)-4-hydroxy-5,5-bis(hydroxymethyl)-1,3-thiazol-2(5h)-ylidene]amino}benzoic acid 4-{[5,5-bis(hydroxymethyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid AC1LF243 acm436088787 AK469072 AKOS000300203 AKOS005747705 BAS 03335205 CHEMBL1710718 CHEMDIV3_002982 DTXSID00353583 HMS1481H12 HMS2834J03 MLS001209521 MOLPORT-000-751-214 MOLPORT-001-990-895 RTR-041373 smr000518556 STK037281 STL147734 STOCK3S-04495 ZINC1850224

Inchi
InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
InChkey
GZCGUPFRVQAUEE-KVTDHHQDSA-N
Canonical Smiles
C(C1C(C(C(C(O1)O)O)O)O)O
Properties
Melting Point
133-140℃
Alpha
14 o (589NM, C=10, H2O)
HS Code
29400010
Safety and Handling
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:180.15588g/mol
  • Molecular Formula:C6H14OS
  • Exact Mass:180.063388
  • Monoisotopic Mass:180.063388
  • Complexity:151
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:110
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:5
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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