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

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

CAS No:
305337-11-5
Formula:
C12H13N3O2S
Chemical Name:
2-[(4-Ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
Synonyms:
Acetic acid,2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-;Acetic acid,[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-;2-[(4-Ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid;(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;2-[(4-Ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid

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

Molecular Weight：

263.32

Exact Mass：

263.32

DSSTox ID：

DTXSID90355011

Characteristics

PSA：

93.3

XLogP3：

1.8

Density：

1.33±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:263.32
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:263.07284784
Monoisotopic Mass:263.07284784
Topological Polar Surface Area:93.3
Heavy Atom Count:18
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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

SDS

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