 Home > Encyclopedia > Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6 -methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E) -2-butenedioate (1:1), hydrate

Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6 -methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E) -2-butenedioate (1:1), hydrate

Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6 -methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E) -2-butenedioate (1:1), hydrate structure

CAS No:
71780-68-2
Formula:
C22H25NOS.C4H4O4.H2O
Chemical Name:
Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6 -methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E) -2-butenedioate (1:1), hydrate
Synonyms:
S-Metazocine;Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E)-2-butenedioate (1:1), hydrate;LS-29393

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Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6 -methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E) -2-butenedioate (1:1), hydrate Basic Attributes

Molecular Weight：

485.598

Exact Mass：

467.176644

Characteristics

PSA：

120

Computed Properties

Molecular Weight:467.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:467.17664420
Monoisotopic Mass:467.17664420
Topological Polar Surface Area:120
Heavy Atom Count:33
Complexity:621
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6 -methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E) -2-butenedioate (1:1), hydrate

Basic Attributes
Characteristics
Computed Properties

Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6 -methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E) -2-butenedioate (1:1), hydrate

SDS

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