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(5S,6R,7S,10R)-6-Isothiocyanato-2,10-dimethyl-7-(1-methylethyl)spiro[4.5]dec-1-ene

(5S,6R,7S,10R)-6-Isothiocyanato-2,10-dimethyl-7-(1-methylethyl)spiro[4.5]dec-1-ene structure

CAS No:
59633-81-7
Formula:
C16H25NS
Chemical Name:
(5S,6R,7S,10R)-6-Isothiocyanato-2,10-dimethyl-7-(1-methylethyl)spiro[4.5]dec-1-ene
Synonyms:
Spiro[4.5]dec-1-ene,6-isothiocyanato-2,10-dimethyl-7-(1-methylethyl)-,(5S,6R,7S,10R)-;Spiro[4.5]dec-1-ene,6-isothiocyanato-2,10-dimethyl-7-(1-methylethyl)-,[5S-(5α,6β,7β,10α)]-;(5S,6R,7S,10R)-6-Isothiocyanato-2,10-dimethyl-7-(1-methylethyl)spiro[4.5]dec-1-ene;Axisothiocyanate 3;(+)-Axisothiocyanate 3

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Description

Axisothiocyanate 3 is a p-menthane monoterpenoid.

(5S,6R,7S,10R)-6-Isothiocyanato-2,10-dimethyl-7-(1-methylethyl)spiro[4.5]dec-1-ene Basic Attributes

Molecular Weight：

263.4414

Exact Mass：

263.44

DSSTox ID：

DTXSID70633980

Characteristics

PSA：

44.4

XLogP3：

5.9

Computed Properties

Molecular Weight:263.4
XLogP3:5.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:263.17077098
Monoisotopic Mass:263.17077098
Topological Polar Surface Area:44.4
Heavy Atom Count:18
Complexity:392
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5S,6R,7S,10R)-6-Isothiocyanato-2,10-dimethyl-7-(1-methylethyl)spiro[4.5]dec-1-ene

Description
Basic Attributes
Characteristics
Computed Properties

(5S,6R,7S,10R)-6-Isothiocyanato-2,10-dimethyl-7-(1-methylethyl)spiro[4.5]dec-1-ene

SDS

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