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2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone structure

CAS No:
669056-12-6
Formula:
C11H12N4OS
Chemical Name:
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone
Synonyms:
SBB044037;669056-12-6;2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-methylphenyl)ethanone;2-(5-amino(4H-1,2,4-triazol-3-ylthio))-1-(4-methylphenyl)ethan-1-one;CHEMBL4125740;DTXSID70364686;ZINC6131338;MFCD03786418;STL198004;2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone;AKOS000273457;AKOS002676085;AKOS003262374;MCULE-4523873439;ST50198217;AS-871/43312468;2-((5-Amino-1H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone

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2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Basic Attributes

Molecular Weight：

248.31 g/mol

Exact Mass：

248.07318219 g/mol

DSSTox ID：

DTXSID70364686

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:248.31
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:248.07318219
Monoisotopic Mass:248.07318219
Topological Polar Surface Area:110
Heavy Atom Count:17
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone

Basic Attributes
Characteristics
Computed Properties

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