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1084-65-7

1084-65-7 structural image
Product Name: METICRANE
Formula: C10H13NO4S2
Synonyms: 6-Methyl-1-thia-1,2,3,4-tetrahydronaphthalene-7-sulfonamide 1,1-dioxide
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 159.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 275.3 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 275.02860024 g/mol
Monoisotopic Mass 275.02860024 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 485
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Meticrane is a thiochromane.