Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > STK326728
341031-54-7 structure

STK326728

Iupac Name:N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CAS No.:341031-54-7
Molecular Weight:532.566
Molecular Formula:C3H10CL2N4S (isomer)
Names and Identifiers
Synonyms

AKOS002343636 AKOS005430344 AKOS022060762 AMBCB7755513 ethyl 4-(3,4-diethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1h-pyrimidine-5-carboxylate ethyl 4-(3,4-diethoxyphenyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ethyl 6-(3,4-diethoxyphenyl)-4-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate H6955 mfcd05150002 MOLPORT-002-266-433 MOLPORT-003-003-402

Inchi
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChkey
WINHZLLDWRZWRT-ATVHPVEESA-N
Canonical Smiles
CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
Isomers Smiles
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
Properties
Melting Point
189-191°C
Safety and Handling
Risk Statements
61-2-48/25-36/37-22-53
Safety Statements
53-22-36/37-24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 341031-54-7 EC: STK326728 ·ECHA C&L Inventory for CAS: CAS: 341031-54-7 EC: STK326728
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

Specific target organ toxicity \u2013 repeated exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:532.566g/mol
  • Molecular Formula:C3H10CL2N4S
  • Compound Is Canonicalized:True
  • Exact Mass:398.212
  • Monoisotopic Mass:398.212
  • Complexity:636
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:77.2A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7sQAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAFgBwAAAHwAQAAAADAjBngwywJPJkACo AyVyVACCgCAlAiAImaE4ZNgIYHrA1ZGUIYhglgDIyccciICOgAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111111111
  • Fax:86-27-11111111111111
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111111111
  • Fax:86-27-11111111111111
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
 
<