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2-(BENZYLSULFANYL)BENZENECARBOXYLICACID

2-(BENZYLSULFANYL)BENZENECARBOXYLICACID structure

CAS No:
1531-80-2
Formula:
C14H12O2S
Chemical Name:
2-(BENZYLSULFANYL)BENZENECARBOXYLICACID
Synonyms:
TIMTEC-BBSBB000842;2-(phenylmethylthio)benzoicacid;2-(phenylmethylsulfanyl)benzoicacid;2-(BENZYLSULFANYL)BENZENECARBOXYLICACID

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2-(BENZYLSULFANYL)BENZENECARBOXYLICACID Basic Attributes

Molecular Weight：

244.31

Exact Mass：

244.05600

NSC Number：

99111

DSSTox ID：

DTXSID20294984

HScode：

2930909090

Characteristics

PSA：

62.60000

XLogP3：

3.67710

Density：

1.27g/cm3

Melting Point：

180-182°C

Boiling Point：

406.5ºC at 760mmHg

Flash Point：

199.6ºC

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:244.31
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:244.05580079
Monoisotopic Mass:244.05580079
Topological Polar Surface Area:62.6
Heavy Atom Count:17
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(BENZYLSULFANYL)BENZENECARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-(BENZYLSULFANYL)BENZENECARBOXYLICACID

SDS

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