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Home> Hot Product Listed T   > T6661445
1159-15-5 structure

T6661445

Iupac Name:5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoic
acid
CAS No.:1159-15-5
Molecular Weight:328.3873
Molecular Formula:C18H17CLN4O2 (isomer)
Names and Identifiers
Synonyms

2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-n-(pyridin-4-yl)acetamide MCULE-7346491030 MOLPORT-009-164-565 Z242561974 ZINC48340314

Inchi
InChI=1/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)
Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)O
Properties
Melting Point
81-103ºC
Vapour
7.95E-15mmHg at 25°C
Refractive Index
1.621
HS Code
29224999
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-37/39
HazardClass
4.3
Computational chemical data
  • Molecular Weight:328.3873g/mol
  • Molecular Formula:C18H17CLN4O2
  • Exact Mass:328.120526
  • Monoisotopic Mass:328.120526
  • Complexity:489
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:156
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • 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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  • Fax:86-21-61263399
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
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  • Fax:86-21-61916468
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