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2-benzylsulfanyl-1,3-benzoxazole

2-benzylsulfanyl-1,3-benzoxazole structure

CAS No:
86971-24-6
Formula:
C14H11NOS
Chemical Name:
2-benzylsulfanyl-1,3-benzoxazole
Synonyms:
2-benzylsulfanyl-1,3-benzoxazole;Benzoxazole, 2-[(phenylmethyl)thio]-

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2-benzylsulfanyl-1,3-benzoxazole Basic Attributes

Molecular Weight：

241.31

Exact Mass：

241.05613515 g/mol

DSSTox ID：

DTXSID50333274

Characteristics

PSA：

51.3 Å²

Density：

1.27±0.1 g/cm3

Melting Point：

51-52.5 °C

Boiling Point：

391.6±35.0 °C(Predicted)

PKA：

1.02±0.10

Computed Properties

Molecular Weight:241.31
XLogP3:4.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:241.05613515
Monoisotopic Mass:241.05613515
Topological Polar Surface Area:51.3
Heavy Atom Count:17
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-benzylsulfanyl-1,3-benzoxazole

Basic Attributes
Characteristics
Computed Properties

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