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[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid

[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid structure

CAS No:
18204-57-4
Formula:
C13H13N3O2S
Chemical Name:
[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
Synonyms:
[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid;Albb-006202;2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid;2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid;2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid;2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

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[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid Basic Attributes

Molecular Weight：

275.33

Exact Mass：

275.07300

DSSTox ID：

DTXSID10355215

HScode：

2933990090

Characteristics

PSA：

93.3

XLogP3：

2.30780

Density：

1.29g/cm3

Boiling Point：

511.3ºC at 760 mmHg

Flash Point：

263ºC

Refractive Index：

1.638

Vapor Pressure：

2.81E-11mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:275.33
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:275.07284784
Monoisotopic Mass:275.07284784
Topological Polar Surface Area:93.3
Heavy Atom Count:19
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid

SDS

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