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Home> Hot Product Listed M   > MOLPORT-005-697-170
30411-84-8 structure

MOLPORT-005-697-170

Iupac Name:2-(carbamoylamino)-4-methylsulfanylbutanoic acid
CAS No.:30411-84-8
Molecular Weight:192.233
Molecular Formula:C12H17NO2 (isomer)
Names and Identifiers
Synonyms

{2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate {2-ethyl-5-oxo-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl 4-acetyl-3,4-dihydro-2h-1,4-benzoxazine-2-carboxylate MCULE-8919723051 T6255428 Z113566760

Inchi
InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)
InChkey
DEWDMTSMCKXBNP-UHFFFAOYSA-N
Canonical Smiles
CSCCC(C(=O)O)NC(=O)N
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 30411-84-8 EC: MOLPORT-005-697-170 ·ECHA C&L Inventory for CAS: CAS: 30411-84-8 EC: MOLPORT-005-697-170
Computational chemical data
  • Molecular Weight:192.233g/mol
  • Molecular Formula:C12H17NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.5
  • Exact Mass:192.057
  • Monoisotopic Mass:192.057
  • Complexity:174
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:12
  • 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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