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5-isothiocyanato-1,3-dimethylpyrazole

5-isothiocyanato-1,3-dimethylpyrazole structure

CAS No:
205246-65-7
Formula:
C6H7N3S
Chemical Name:
5-isothiocyanato-1,3-dimethylpyrazole
Synonyms:
1,3-dimethylpyrazol-5-isothiocyanate; 5-Isothiocyanato-1,3-dimethyl-1H-pyrazole; 1,3-dimethyl-5-isothiocyanatopyrazole;

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5-isothiocyanato-1,3-dimethylpyrazole Basic Attributes

Molecular Weight：

153.20500

Exact Mass：

153.03606841

DSSTox ID：

DTXSID40442980

Characteristics

PSA：

62.27000

XLogP3：

1.46280

Density：

1.201g/cm3

Boiling Point：

285.595ºC

Flash Point：

126.524ºC

Refractive Index：

1.617

Vapor Pressure：

0.005mmHg at 25°C

Computed Properties

Molecular Weight:153.21
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:153.03606841
Monoisotopic Mass:153.03606841
Topological Polar Surface Area:62.3
Heavy Atom Count:10
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-isothiocyanato-1,3-dimethylpyrazole

Basic Attributes
Characteristics
Computed Properties

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