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Isopropylthiocyanate

Isopropylthiocyanate structure

CAS No:
625-59-2
Formula:
C4H7NS
Chemical Name:
Isopropylthiocyanate
Synonyms:
isopropyl thiocyanate;propan-2-yl thiocyanate;(methylethyl)thiocarbonitrile;isopropylthiocyanate;Isopropylthiocyanat;NSC60538;2-Thiocyanatopropane;2-thiocyanato-propane;SCHEMBL6244573;CTK2F4810
Categories:
Organic Chemistry > Coordination Complexes

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Isopropylthiocyanate Basic Attributes

Molecular Weight：

101.17000

Exact Mass：

101.03000

NSC Number：

60538

DSSTox ID：

DTXSID40289372

Characteristics

PSA：

49.09000

XLogP3：

1.60908

Density：

0.9784

Boiling Point：

152～153ºC(100.52kPa)

Flash Point：

-3ºC

Refractive Index：

1.468

Computed Properties

Molecular Weight:101.17
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:101.02992040
Monoisotopic Mass:101.02992040
Topological Polar Surface Area:49.1
Heavy Atom Count:6
Complexity:68.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 625-59-2

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