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2-isothiocyanatooctane

2-isothiocyanatooctane structure

CAS No:
69626-80-8
Formula:
C9H17NS
Chemical Name:
2-isothiocyanatooctane
Synonyms:
2-Octyl isothiocyanate;2-Isothiocyanatooctane;69626-80-8;2-Octane isothiocyanate;21663-52-5;2-Octylisothiocyanate;2-Octyl isothiocyanate,;2-Isothiocyanatooctane #;Octane, 2-isothiocyanato-;1-methylheptyl isothiocyanate;SCHEMBL7979579;DTXSID80989728;8314AE;MFCD00060400;AKOS009462784;2-octyl isothiocyanate 21663-52-5;DB-021461;FT-0641247

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2-isothiocyanatooctane Basic Attributes

Molecular Weight：

171.31 g/mol

Exact Mass：

171.10817072 g/mol

Characteristics

PSA：

44.4 Å²

Computed Properties

Molecular Weight:171.31
XLogP3:4.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:171.10817072
Monoisotopic Mass:171.10817072
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:128
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: levasole; disodium pyrophosphate; na2o sodium oxide; hydroxide anion; 3-methyl-2-butanone; nitrogen trifluoride

Guide of 2-isothiocyanatooctane

Basic Attributes
Characteristics
Computed Properties

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