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rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-methanobenzotrithiole

rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-methanobenzotrithiole structure

CAS No:
23657-27-4
Formula:
C7H10S3
Chemical Name:
rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-methanobenzotrithiole
Synonyms:
4,7-Methanobenzotrithiole,hexahydro-,(3aR,4S,7R,7aS)-rel-;4,7-Methanobenzotrithiole,hexahydro-,exo-;4,7-Methanobenzotrithiole,hexahydro-,(3aα,4β,7β,7aα)-;rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-methanobenzotrithiole;exo-3,4,5-Trithiatricyclo[5.2.1.02,6]decane

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rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-methanobenzotrithiole Basic Attributes

Molecular Weight：

190.4 g/mol

Exact Mass：

190.35

Characteristics

PSA：

75.9 Å²

Boiling Point：

175-180 °C @ Press: 13 Torr

Computed Properties

Molecular Weight:190.4
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Exact Mass:189.99446384
Monoisotopic Mass:189.99446384
Topological Polar Surface Area:75.9
Heavy Atom Count:10
Complexity:143
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(3aR,4S,7R,7aS)-Hexahydro-4,7-methanobenzotrithiole

Basic Attributes
Characteristics
Computed Properties

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