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3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene

3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene structure

CAS No:
29100-30-9
Formula:
C9H16S
Chemical Name:
3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
Synonyms:
29100-30-9;Octahydro-2H-thiochromene;thiadecalin;2H-1-benzothiopyran, octahydro-;3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene;SCHEMBL1255649;DTXSID50341692

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3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene Basic Attributes

Molecular Weight：

156.29 g/mol

Exact Mass：

156.09727168 g/mol

DSSTox ID：

DTXSID50341692

Characteristics

PSA：

25.3 Å²

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:156.29
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Exact Mass:156.09727168
Monoisotopic Mass:156.09727168
Topological Polar Surface Area:25.3
Heavy Atom Count:10
Complexity:111
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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