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5-isothiocyanato-2,3-dihydro-1H-indene

5-isothiocyanato-2,3-dihydro-1H-indene structure

CAS No:
149865-84-9
Formula:
C10H9NS
Chemical Name:
5-isothiocyanato-2,3-dihydro-1H-indene
Synonyms:
indan-5-yl isothiocyanate; 5-Indanyl Isothiocyanate;

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5-isothiocyanato-2,3-dihydro-1H-indene Basic Attributes

Molecular Weight：

175.25000

Exact Mass：

175.04557046

DSSTox ID：

DTXSID80374756

Characteristics

PSA：

44.45000

XLogP3：

2.90960

Density：

1.15

Boiling Point：

99ºC/1mm

Flash Point：

144.1ºC

Refractive Index：

1.638

Vapor Pressure：

0.00141mmHg at 25°C

Computed Properties

Molecular Weight:175.25
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.04557046
Monoisotopic Mass:175.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-isothiocyanato-2,3-dihydro-1H-indene

Basic Attributes
Characteristics
Computed Properties

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